SCHEMBL2879737

SCHEMBL2879737

Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.65
MET P08581 8/20 0.57
CYP3A4 P08684 1/20 0.56
TRPA1 O75762 1/20 0.52

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
SCHEMBL31554522 1.00 ROCK2 (0.65) ROCK2METCYP3A4TRPA1
Hydrochloric Acid SCHEMBL5097103 0.99 ROCK2 (0.64) ROCK2METCYP3A4TRPA1
SCHEMBL2877126 0.85 ROCK2 (0.54) ROCK2METCYP3A4TRPA1
SCHEMBL4817550 0.84 ROCK2 (0.58) ROCK2METCYP3A4TRPA1
SCHEMBL3485162 0.84 ROCK2 (0.52) ROCK2METCYP3A4
SCHEMBL25793147 0.83 ROCK2 (0.53) ROCK2METCYP3A4
SCHEMBL29837329 0.83 ROCK2 (0.53) ROCK2METCYP3A4
SCHEMBL29018884 0.83 ROCK2 (0.58) ROCK2METCYP3A4TRPA1
SCHEMBL4815289 0.81 MET (0.61) ROCK2MET
SCHEMBL24885851 0.81 ROCK2 (0.49) ROCK2METCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US claimed
WO-2025096463-A1 PLK4 MODULATORS VIBLIOME THERAPEUTICS, LLC (US) 2025-05-08 WO disclosed
CN-112457295-B Compound with Axl and c-Met kinase inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2022-07-26 CN disclosed
CN-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 CN disclosed
WO-2021043217-A1 COMPOUND HAVING AXL AND C-MET KINASE INHIBITORY ACTIVITY, PREPARATION THEREOF AND APPLICATION THEREOF 中国科学院上海药物研究所 2021-03-11 WO disclosed
WO-2021043217-A1 COMPOUND HAVING AXL AND C-MET KINASE INHIBITORY ACTIVITY, PREPARATION THEREOF AND APPLICATION THEREOF 中国科学院上海药物研究所 2021-03-11 WO disclosed
CN-112457295-A Compound with Axl and c-Met kinase inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2021-03-09 CN disclosed
CN-108341813-B Substituted 1- (isoxazol-3-yl) -3- (3-fluoro-4-phenyl) urea derivative and preparation method and application thereof 四川大学 2020-11-17 CN disclosed
CN-110520416-A Polysubstituted pyridine ketones derivant, preparation method and its medical usage BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD 2019-11-29 CN disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 US disclosed
WO-2005097790-A1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
WO-2005097790-A1 HETARYLOXY-SUBSTITUTED PHENYLAMINO PYRIMIDINES AS RHO KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
EP-1562935-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2005-08-17 EP disclosed
WO-2005058891-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-06-30 WO disclosed
WO-2005058891-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-06-30 WO disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ROCK2 395/4885MET 721/4885CYP3A4 2351/4885
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 ROCK2 323/4885MET 206/4885CYP3A4 2553/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 ROCK2 433/4885MET 2109/4885CYP3A4 3031/4885

“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.