SCHEMBL5457022

SCHEMBL5457022

Ic1ccc(-c2n[nH]cc2-c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.43
MAPK13 O15264 6/20 0.43
MAPK12 P53778 6/20 0.43
MAPK11 Q15759 6/20 0.43
GCGR P47871 3/20 0.43
IMPDH2 P12268 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
MAPK9 P45984 3/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
GSK3B P49841 2/20 0.38
NFATC1 O95644 1/20 0.38
DYRK1A Q13627 1/20 0.38
RAF1 P04049 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
AURKA O14965 1/20 0.37
CDK1 P06493 1/20 0.37
LYN P07948 1/20 0.37

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
SCHEMBL5451902 0.89 IMPDH2 (0.44) MAPK14MAPK13MAPK12MAPK11IMPDH2
SCHEMBL5256518 0.84 NOTUM (0.52) MAPK14MAPK13MAPK12MAPK11IMPDH2
SCHEMBL5256520 0.83 GCGR (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1554633 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6077530 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL27833459 0.83 NTRK1 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL6078860 0.83 GCGR (0.49) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL15022262 0.83 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5443428 0.83 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GCGR
Hydrochloric Acid SCHEMBL1554763 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR

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 24 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
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US 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-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
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 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 MAPK14 12/4885MAPK13 22/4885MAPK12 104/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885MAPK13 4/4885MAPK12 41/4885

“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.