SCHEMBL5453393

SCHEMBL5453393

Cc1cnccc1-c1cn(C)nc1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 14/20 0.68
CSNK1E P49674 11/20 0.68
MAPK14 Q16539 7/20 0.68
MAPK11 Q15759 6/20 0.68
MAPK13 O15264 4/20 0.68
MAPK12 P53778 4/20 0.68
MAP4K4 O95819 2/20 0.60
MAPK9 P45984 2/20 0.60
CSNK1A1 P48729 2/20 0.60
EGFR P00533 1/20 0.60
FRK P42685 1/20 0.60
BRAF P15056 3/20 0.50
MAPK3 P27361 1/20 0.50
MAPK1 P28482 1/20 0.50
GCGR P47871 1/20 0.50
NUAK1 O60285 1/20 0.50
ROCK2 O75116 1/20 0.50
LCK P06239 1/20 0.50
MAPK8 P45983 1/20 0.50
GSK3B P49841 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
SCHEMBL9933667 0.87 CSNK1D (0.69) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL30944203 0.82 CSNK1D (0.61) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL30944265 0.82 CSNK1D (0.65) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL5698604 0.81 CSNK1D (1.00) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL5257540 0.81 CSNK1D (1.00) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL21182078 0.77 CSNK1D (0.49) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL23557736 0.77 MAPK14 (0.52) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL9933712 0.75 CSNK1D (1.00) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL9934171 0.74 CSNK1D (0.68) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL5454909 0.73 MAPK14 (0.51) CSNK1DCSNK1EMAPK14MAPK11MAPK13

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
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-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
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 CSNK1D 254/4885CSNK1E 907/4885MAPK14 12/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CSNK1D 1168/4885CSNK1E 1661/4885MAPK14 7/4885

“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.