SCHEMBL5255249

SCHEMBL5255249

Fc1ccc(-c2n[nH]cc2-c2ccnc(NC3CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.54
MAPK8 P45983 6/20 0.50
MAPK9 P45984 6/20 0.50
AURKB Q96GD4 3/20 0.50
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
MAPK1 P28482 2/20 0.50
CSNK1A1 P48729 2/20 0.50
CLK2 P49760 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
CSNK1G2 P78368 2/20 0.50
TAOK1 Q7L7X3 2/20 0.50
MINK1 Q8N4C8 2/20 0.50
PRKD2 Q9BZL6 2/20 0.50
HIPK2 Q9H2X6 2/20 0.50
CSNK1G1 Q9HCP0 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
CSNK1G3 Q9Y6M4 2/20 0.50
ALK Q9UM73 1/20 0.50

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
SCHEMBL5260080 0.83 MAPK14 (0.49) MAPK9AURKBGSK3BMAPK14MAPK13
SCHEMBL21621306 0.81 CDK4 (0.63) CDK4MAPK8MAPK9AURKBPRKD3
SCHEMBL1554515 0.80 MAPK8 (0.52) MAPK8MAPK9PRKD3MAP4K4MAPK1
SCHEMBL5256181 0.79 MAPK14 (0.41) CDK4AURKBGSK3AGSK3BMAPK14
SCHEMBL5256677 0.79 MAPK14 (0.52) MAPK9MAPK14MAPK13MAPK12MAPK11
SCHEMBL5464101 0.78 MAPK14 (0.47) CDK4GSK3BMAPK14MAPK13MAPK12
SCHEMBL5256587 0.78 CCNB2 (0.56) CDK4MAPK8GSK3BMAPK14RET
SCHEMBL5308445 0.78 AURKA (0.39) CDK4MAPK9AURKBPRKD3MAP4K4
SCHEMBL13039328 0.78 CDK4 (0.55) CDK4MAPK8MAPK9AURKBPRKD3
SCHEMBL5258644 0.77 MAPT (0.41) MAPK9MAP4K4CSNK1A1MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN claimed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP claimed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
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-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
CN-1273603-A Attenuated respiratory syncytial virus AMERICAN CYANAMID CO (US) 2000-11-15 CN disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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 CDK4 903/4885MAPK8 60/4885MAPK9 76/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CDK4 369/4885MAPK8 8/4885MAPK9 38/4885

“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.