SCHEMBL5260860

SCHEMBL5260860

FC(F)(F)c1cccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncc2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 12/20 0.76
MAPK14 Q16539 12/20 0.76
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK13 O15264 2/20 0.48
MAPK9 P45984 2/20 0.48
MAPK12 P53778 2/20 0.48
HTR2C P28335 2/20 0.47
RAF1 P04049 1/20 0.47
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
EPHX2 P34913 1/20 0.44
KCNH2 Q12809 1/20 0.43
PLAT P00750 1/20 0.42

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
Hydrochloric Acid SCHEMBL5259077 0.99 MAPK11 (0.74) MAPK11MAPK14MEN1POLBKMT2A
SCHEMBL5259009 0.88 MAPK11 (0.74) MAPK11MAPK14MEN1POLBKMT2A
SCHEMBL5259004 0.88 MAPK11 (0.74) MAPK11MAPK14MEN1POLBKMT2A
SCHEMBL5257383 0.88 MAPK11 (0.78) MAPK11MAPK14MAPK13MAPK9MAPK12
Hydrochloric Acid SCHEMBL5257534 0.86 MAPK11 (0.76) MAPK11MAPK14MAPK13MAPK9MAPK12
SCHEMBL5259318 0.86 MAPK11 (1.00) MAPK11MAPK14KCNH2
SCHEMBL5258174 0.86 MAPK11 (0.75) MAPK11MAPK14MEN1POLBKMT2A
SCHEMBL7854906 0.84 MAPK14 (0.63) MAPK11MAPK14MEN1POLBKMT2A
SCHEMBL14521818 0.83 MAPK14 (0.76) MAPK11MAPK14HTR2CKCNH2
SCHEMBL14521816 0.83 MAPK11 (0.64) MAPK11MAPK14KCNH2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
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-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-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-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

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 MAPK11 96/4885MAPK14 12/4885MEN1 3388/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK11 42/4885MAPK14 7/4885MEN1 3032/4885

“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.