SCHEMBL1509690

SCHEMBL1509690

N#Cc1nccc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.58
ADORA2A P29274 2/20 0.53
AURKA O14965 1/20 0.53
HSP90AA1 P07900 1/20 0.53
PRKACA P17612 1/20 0.53
CTSK P43235 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
USP30 Q70CQ3 2/20 0.42
CTSS P25774 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
SQOR Q9Y6N5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL28024474 0.85 KMO (0.58) KMOADORA2AAURKAHSP90AA1PRKACA
SCHEMBL9792898 0.81 KMO (0.59) KMOCTSKCTSSMAPK1IRAK4
SCHEMBL31086625 0.81 MAOB (0.55) KMOMEN1KMT2ARAB9AL3MBTL1
SCHEMBL29254839 0.81 MAOB (0.55) KMOMEN1KMT2ARAB9AL3MBTL1
SCHEMBL28844124 0.80 KMO (0.57) KMOPRKACACTSKMEN1KMT2A
SCHEMBL31754502 0.79 KDM4E (0.55) KMOHSP90AA1MEN1KMT2ARAB9A
SCHEMBL18535 0.76 CTSS (0.63) KMOCTSKCTSSIRAK4
SCHEMBL8842521 0.75 ABCG2 (0.62) ADORA2AAURKAHSP90AA1PRKACAMEN1
SCHEMBL14484877 0.75 KMO (0.45) KMOCTSKMEN1KMT2ARAB9A
SCHEMBL22738478 0.74 KMO (0.51) KMOCTSKMEN1KMT2ARAB9A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP claimed
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US claimed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP claimed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US claimed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN claimed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP claimed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 WO claimed
EP-3810596-B1 QUINOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-11-30 EP disclosed
EP-3810596-A1 QUINOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
US-20210078990-A1 TYROSINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-18 US disclosed
CN-112513030-A Quinoline derivatives as tyrosine kinase inhibitors 里格尔药品股份有限公司 2021-03-16 CN disclosed
US-10851093-B2 Tyrosine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-12-01 US disclosed
EP-2470012-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 WO disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 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 (3 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-10851093-B2 Tyrosine kinase inhibitors TYRO3, RET, AXL KMO 398/4885ADORA2A 385/4885AURKA 809/4885
US-20210078990-A1 TYROSINE KINASE INHIBITORS TYRO3, RET, AXL KMO 398/4885ADORA2A 385/4885AURKA 809/4885
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 KMO 1791/4885ADORA2A 497/4885AURKA 2643/4885

“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.