SCHEMBL230935

SCHEMBL230935

O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C(F)(F)F)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tromethamine SCHEMBL2126079 0.93 DHODH (0.86) DHODH
SCHEMBL2126648 0.89 DHODH (0.81) DHODH
SCHEMBL27844890 0.87 DHODH (0.77) DHODH
SCHEMBL467948 0.87 DHODH (1.00) DHODH
SCHEMBL468646 0.85 DHODH (1.00) DHODH
SCHEMBL468755 0.85 DHODH (1.00) DHODH
SCHEMBL468581 0.85 DHODH (1.00) DHODH
SCHEMBL468515 0.84 DHODH (0.76) DHODH
SCHEMBL468669 0.83 DHODH (0.76) DHODH
SCHEMBL468645 0.83 DHODH (1.00) DHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148999-A1 ADDITION SALTS OF (S)-2-(1-(6-AMINO-5-CYANOPYRIMIDIN-4-YLAMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[1,2-F][1,2,4]TRIAZINE-5-CARBONITRILE Almirall S.A. (ES) 2017-04-05 EP claimed
WO-2015181052-A1 ADDITION SALTS OF (S)-2-(1-(6-AMINO-5-CYANOPYRIMIDIN-4-YLAMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[1,2-F][1,2,4]TRIAZINE-5-CARBONITRILE ALMIRALL, S.A. (ES) 2015-12-03 WO claimed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US claimed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
WO-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
EP-2444088-A1 Amino derivatives for the treatment of proliferative skin disorders Almirall, S.A. (ES) 2012-04-25 EP claimed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 EP claimed
EP-2406222-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall S.A. (ES) 2012-01-18 EP claimed
US-20120003183-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2012-01-05 US claimed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP claimed
EP-2389197-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall S.A. (ES) 2011-11-30 EP claimed
US-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-11-17 US claimed
US-20110253957-A1 Compliant motion distribution system FLEXSYS, INC. 2011-10-20 US claimed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US claimed
EP-2230232-A1 Addition salts of tromethamine with azabiphenylaminobenzoic acid derivatives as DHODH inhibitors Almirall, S.A. (ES) 2010-09-22 EP claimed
WO-2010102825-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-09-16 WO claimed
WO-2010083975-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-07-29 WO claimed
EP-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP claimed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP claimed
US-20170158699-A1 ADDITION SALTS OF (S)-2-(1-(6-AMINO-5-CYANOPYRIMIDIN-4-YLAMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[1,2-F][1,2,4]TRIAZINE-5-CARBONITRILE ALMIRALL SA (ES) 2017-06-08 US disclosed
EP-3148999-A1 ADDITION SALTS OF (S)-2-(1-(6-AMINO-5-CYANOPYRIMIDIN-4-YLAMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[1,2-F][1,2,4]TRIAZINE-5-CARBONITRILE Almirall S.A. (ES) 2017-04-05 EP disclosed
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-9340547-B2 Pyrrolotriazinone derivatives as inhibitors P13K ALMIRALL, S.A. (ES) 2016-05-17 US disclosed
EP-2702061-B9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL SA (ES) 2016-02-24 EP disclosed
WO-2015181052-A1 ADDITION SALTS OF (S)-2-(1-(6-AMINO-5-CYANOPYRIMIDIN-4-YLAMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[1,2-F][1,2,4]TRIAZINE-5-CARBONITRILE ALMIRALL, S.A. (ES) 2015-12-03 WO disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 US disclosed
EP-2909207-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS Almirall S.A. (ES) 2015-08-26 EP disclosed
EP-2702061-B1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL SA (ES) 2015-07-29 EP disclosed
WO-2015091532-A1 PYRROLOPYRIMIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-06-25 WO disclosed
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, SA (ES) 2015-04-09 US disclosed
WO-2014124757-A1 PYRROLOTRIAZINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-08-21 WO disclosed
EP-2389197-B1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL SA (ES) 2014-06-18 EP disclosed
US-20140163033-A1 PYRROLOTRIAZINONE DERIVATIVES AS P13K INHIBITORS ALMIRALL, SA (ES) 2014-06-12 US disclosed
WO-2014060431-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-04-24 WO disclosed
WO-2014060432-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-04-24 WO disclosed
CN-103649089-A Pyrrolotriazinones as PI3K inhibitors ALMIRALL SA 2014-03-19 CN disclosed
EP-2702061-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS Almirall S.A. (ES) 2014-03-05 EP disclosed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
WO-2013010880-A1 NEW CRTH2 ANTAGONISTS ALMIRALL, S.A. (ES) 2013-01-24 WO disclosed
WO-2013010881-A1 NEW CRTh2 ANTAGONISTS ALMIRALL, S.A. (ES) 2013-01-24 WO disclosed
EP-2548863-A1 New CRTh2 antagonists. Almirall, S.A. (ES) 2013-01-23 EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
WO-2012146666-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
EP-2518070-A1 Pyrrolotriazinone derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
EP-2518071-A1 Imidazopyridine derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
EP-2457900-A1 New pyrazole derivatives having CRTh2 antagonistic behaviour Almirall, S.A. (ES) 2012-05-30 EP disclosed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS ALMIRALL, S.A. (ES) 2012-04-26 WO disclosed
WO-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS ALMIRALL, S.A. (ES) 2012-04-26 WO disclosed
EP-2444088-A1 Amino derivatives for the treatment of proliferative skin disorders Almirall, S.A. (ES) 2012-04-25 EP disclosed
EP-2444086-A1 Combinations comprising DHODH inhibitors and COX inhibitors Almirall, S.A. (ES) 2012-04-25 EP disclosed
EP-2406222-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall S.A. (ES) 2012-01-18 EP disclosed
US-20120003183-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2012-01-05 US disclosed
US-20120003183-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2012-01-05 US disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
EP-2389197-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall S.A. (ES) 2011-11-30 EP disclosed
US-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-11-17 US disclosed
US-20110253957-A1 Compliant motion distribution system FLEXSYS, INC. 2011-10-20 US disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
EP-2230232-A1 Addition salts of tromethamine with azabiphenylaminobenzoic acid derivatives as DHODH inhibitors Almirall, S.A. (ES) 2010-09-22 EP disclosed
EP-2230232-A1 Addition salts of tromethamine with azabiphenylaminobenzoic acid derivatives as DHODH inhibitors Almirall, S.A. (ES) 2010-09-22 EP disclosed
WO-2010102825-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-09-16 WO disclosed
WO-2010102825-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-09-16 WO disclosed
WO-2010083975-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2010-07-29 WO disclosed
EP-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP disclosed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140163033-A1 PYRROLOTRIAZINONE DERIVATIVES AS P13K INHIBITORS PIP4K2B, PDPK1, PI4KA DHODH 2696/4885
US-20150099752-A9 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3CA, PIK3CB DHODH 2071/4885
US-20170158699-A1 ADDITION SALTS OF (S)-2-(1-(6-AMINO-5-CYANOPYRIMIDIN-4-YLAMINO)ETHYL)-4-OXO-3-PHENYL-3,4-DIHYDROPYRROLO[1,2-F][1,2,4]TRIAZINE-5-CARBONITRILE PIK3CA, PIK3CD, PIK3CG DHODH 946/4885
US-20110280831-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, CBR3, HRH4 DHODH 1/4885
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA DHODH 1553/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885
US-20120003183-A1 ADDITION SALTS OF TROMETHAMINE WITH AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DOHH, TALDO1 DHODH 1/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.