SCHEMBL1886110

SCHEMBL1886110

O=C1C2=CN=CC2=Nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APAF1 O14727 2/20 0.40
LMNA P02545 2/20 0.40
GALK1 P51570 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRC P12931 2/20 0.36
CTRB1 P17538 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
AHR P35869 2/20 0.36
RECQL P46063 2/20 0.36

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
SCHEMBL1173038 0.84 IDO1 (0.34) MEN1KMT2AMAPTALDH1A1KDM4E
Water SCHEMBL4797113 0.82 IDO1 (0.33) LMNASMN1; SMN2IDO1
SCHEMBL8323390 0.75 CDC25B (0.33) MEN1KMT2AMAPTKDM4EAPAF1
SCHEMBL7335323 0.73 MAPT (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL29941290 0.70 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10977948 0.69 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4739721 0.69 KDM4E (0.33) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL21316073 0.69 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1KDM4E
Isatin SCHEMBL28614049 0.66 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
Isatin SCHEMBL31087266 0.66 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP claimed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO claimed
US-20150086504-A1 POLYMERIC MICROEMULSIONS JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 US disclosed
US-20110112115-A1 POLYMERIC MICROEMULSIONS ARIEN ALBERTINA MARIA EDUARDA 2011-05-12 US disclosed
EP-1448562-B1 SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARMACEUTICAL CO (US) 2007-07-25 EP disclosed
US-20060034797-A1 Polymeric micromulsions ETHICON INC. 2006-02-16 US disclosed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
EP-1448562-A1 SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-Mcneil Pharmaceutical Corp. (US) 2004-08-25 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6686349-B2 ADMINISTERING TO A PATIENT FOR THE TREATMENT OF SEXUAL DYSFUNCTION AN EFFECTIVE AMOUNT OF SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-02-03 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-20030144268-A1 Substituted tetracyclic pyrroloquinolone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 US disclosed
WO-2003042213-A1 SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 2003-05-22 WO disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (5 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3847/4885KMT2A 3106/4885MAPT 3888/4885
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES PDE1B, PDE3B, PDE1A MEN1 371/4885KMT2A 1903/4885MAPT 4704/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3647/4885KMT2A 3200/4885MAPT 3924/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 3647/4885KMT2A 3200/4885MAPT 3924/4885
US-20030144268-A1 Substituted tetracyclic pyrroloquinolone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MEN1 4031/4885KMT2A 3718/4885MAPT 3562/4885

“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.