SCHEMBL5258455

SCHEMBL5258455

COc1ccccc1Nc1nccc(-c2c[nH]nc2-c2ccc(F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.59
CDK1 P06493 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
CAMKK2 Q96RR4 5/20 0.55
PIK3CG P48736 5/20 0.55
MAPK8 P45983 4/20 0.55
DYRK1A Q13627 1/20 0.53
EGFR P00533 1/20 0.52
GSK3B P49841 1/20 0.48
MAPT P10636 1/20 0.48
MKNK1 Q9BUB5 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
FLT3 P36888 1/20 0.48
PIK3CA P42336 1/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.44
SIK2 Q9H0K1 1/20 0.44

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
SCHEMBL7847935 0.88 CCNB2 (0.58) CCNB2CDK1CCNB1CCNB3CAMKK2
SCHEMBL5256587 0.88 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3CAMKK2
SCHEMBL5260080 0.82 MAPK14 (0.49) PIK3CGDYRK1AGSK3BPIK3CAAURKA
SCHEMBL14519533 0.81 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3CAMKK2
SCHEMBL1554515 0.79 MAPK8 (0.52) MAPK8DYRK1AGSK3BFLT3MAPK10
SCHEMBL5257451 0.78 CLK4 (0.58) PIK3CGDYRK1AMAPTMKNK1PIK3CA
SCHEMBL5256677 0.78 MAPK14 (0.52) MKNK1CCNT1CDK9
SCHEMBL5464101 0.77 MAPK14 (0.47) GSK3BPIK3CA
SCHEMBL5308445 0.77 AURKA (0.39) PIK3CGGSK3BMKNK1PIK3CAAURKA
SCHEMBL5308448 0.76 MKNK1 (0.43) PIK3CGMAPK8DYRK1AGSK3BMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 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 (2 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF CCNB2 2295/4885CDK1 567/4885CCNB1 1948/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CCNB2 801/4885CDK1 154/4885CCNB1 980/4885

“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.