SCHEMBL355565

SCHEMBL355565

CCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(OC(F)(F)F)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 0.75
MEN1 O00255 2/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.56
HDAC6 Q9UBN7 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL3872768 0.94 DHODH (0.80) DHODHMEN1HTTKMT2A
SCHEMBL729459 0.91 DHODH (0.71) DHODHMEN1HTTKMT2AHDAC6
Meglumine SCHEMBL18109035 0.89 DHODH (0.59) DHODHMEN1HTTKMT2AHDAC6
SCHEMBL3872775 0.87 DHODH (0.69) DHODHMEN1HTTKMT2A
SCHEMBL14139519 0.86 DHODH (0.54) DHODHMEN1HTTKMT2AHDAC6
SCHEMBL3873430 0.86 DHODH (0.82) DHODHMEN1HTTKMT2APKM
SCHEMBL729452 0.85 DHODH (1.00) DHODHMEN1HTTKMT2APKM
SCHEMBL2710466 0.84 DHODH (0.66) DHODHMEN1HTTKMT2APKM
SCHEMBL3878507 0.84 DHODH (0.64) DHODHMEN1HTTKMT2APKM
SCHEMBL729167 0.84 DHODH (0.81) DHODHMEN1HTTKMT2APKM

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 — showing the first 20. 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
EP-2406225-B1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2013-06-26 EP claimed
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. 2012-11-22 US claimed
US-8258308-B2 Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2012-09-04 US claimed
EP-2121614-B1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2012-06-20 EP claimed
WO-2012052179-A1 AMINO DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE SKIN DISORDERS ALMIRALL, S.A. (ES) 2012-04-26 WO claimed
WO-2012052180-A1 COMBINATIONS COMPRISING DHODH INHIBITORS AND COX INHIBITORS 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
JP-2011524392-A 2011-09-01 JP claimed
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-06-02 US claimed
EP-2296663-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS Almirall, S.A. (ES) 2011-03-23 EP claimed
EP-2228367-A1 Addition salts of amines containing hydroxyl and/or carboxylic groups with amino nicotinic acid derivatives as DHODH inhibitors Almirall, S.A. (ES) 2010-09-15 EP claimed
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-03-25 US claimed
WO-2009153043-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-12-23 WO claimed
EP-2135610-A1 Combination comprising DHODH inhibitors and methotrexate Laboratorios Almirall, S.A. (ES) 2009-12-23 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-2121614-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2009-11-25 EP disclosed
WO-2008077639-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-03 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 (4 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-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 946/4885MEN1 2841/4885HTT 2328/4885
US-20100074898-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885MEN1 4210/4885HTT 941/4885
US-20120294854-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, NQO2, DAO DHODH 1/4885MEN1 4210/4885HTT 941/4885
US-20110129445-A1 COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS DHODH, DHFR, MTHFD2 DHODH 1/4885MEN1 3384/4885HTT 2121/4885

“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.