SCHEMBL5256223

SCHEMBL5256223

CNC(=O)c1cc(-c2c[nH]nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIPK4 Q8NE63 7/20 0.52
ADORA1 P30542 2/20 0.42
BRAF P15056 2/20 0.41
MAPK14 Q16539 2/20 0.40
DDR2 Q16832 1/20 0.40
KDR P35968 2/20 0.39
MAPK13 O15264 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK12 P53778 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAOB P27338 1/20 0.38
TDO2 P48775 1/20 0.38
MET P08581 1/20 0.38
ULK1 O75385 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL5253905 0.87 MAP2K4 (0.44) HIPK4MAPK14MAPK13CSNK1DCSNK1E
SCHEMBL5255057 0.85 KMO (0.43) HIPK4MAPK14MAPK13CSNK1DCSNK1E
SCHEMBL5259701 0.84 GRM2 (0.42) MAPK14CSNK1DCSNK1E
SCHEMBL27540546 0.81 MAPK14 (0.59) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL14143256 0.80 MAPK14 (0.45) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL28743004 0.79 MAPK14 (0.38) HIPK4MAPK14MAPK13CSNK1DCSNK1E
SCHEMBL14411267 0.78 MAPK14 (0.46) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL4101681 0.78 MAPK14 (0.46) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL5445557 0.77 TGFBR1 (0.46) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL14519453 0.76 MAPK14 (0.54) HIPK4ADORA1BRAFMAPK14MAPK13

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 21 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-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-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
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 HIPK4 1190/4885ADORA1 593/4885BRAF 90/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 HIPK4 2019/4885ADORA1 428/4885BRAF 897/4885

“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.