SCHEMBL5452750

SCHEMBL5452750

Fc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.58
GYS1 P13807 3/20 0.58
MAPK14 Q16539 13/20 0.53
MAPK11 Q15759 8/20 0.53
MAPK13 O15264 2/20 0.48
MAPK9 P45984 2/20 0.48
MAPK12 P53778 2/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 2/20 0.47
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
FRK P42685 1/20 0.47
GCGR P47871 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3B P49841 1/20 0.47
PTK6 Q13882 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47

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
SCHEMBL14411789 0.84 MAPK14 (0.50) LRRK2MAPK14MAPK11MAPK13MAPK9
SCHEMBL7777792 0.81 GYS1 (0.54) LRRK2GYS1MAPK14MAPK11MAPK13
SCHEMBL7780676 0.81 LRRK2 (0.64) LRRK2MAPK14MAPK11CSNK1A1CSNK1D
SCHEMBL7773215 0.81 LRRK2 (0.77) LRRK2GYS1
SCHEMBL14519418 0.80 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL5258469 0.80 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6252659 0.79 PTGS2 (0.58) LRRK2GYS1
SCHEMBL7491106 0.78 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL6177789 0.78 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK9MAPK12
SCHEMBL14519632 0.78 MAPK14 (0.56) MAPK14MAPK11MAPK13MAPK9MAPK12

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
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-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 LRRK2 4383/4885GYS1 3782/4885MAPK14 12/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 LRRK2 4197/4885GYS1 3745/4885MAPK14 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.