SCHEMBL5255461

SCHEMBL5255461

COc1cc(-c2c(C)n[nH]c2-c2cccc(Cl)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.43
CNR1 P21554 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
LRRK2 Q5S007 3/20 0.41
FYN P06241 1/20 0.39
MAT2A P31153 1/20 0.39
IDO1 P14902 2/20 0.36
DRD1 P21728 1/20 0.36
NOTUM Q6P988 1/20 0.36
PTPN11 Q06124 1/20 0.36
NUDT1 P36639 1/20 0.36
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
BUB1 O43683 1/20 0.35

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
SCHEMBL5255278 0.89 LRRK2 (0.43) CNR1MAPK14LRRK2MAT2AIDO1
SCHEMBL5257961 0.86 CNR1 (0.42) CNR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5259330 0.86 MAT2A (0.44) CNR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5260632 0.83 KDR (0.46) IKBKEMAPK13MAPK12MAPK11MAPK14
SCHEMBL5256054 0.83 IKBKE (0.51) IKBKEMAPK13MAPK12MAPK11MAPK14
SCHEMBL5256313 0.83 IKBKE (0.45) IKBKEFYNIDO1NOTUMPTPN11
SCHEMBL5256388 0.82 LRRK2 (0.44) MAPK13MAPK12MAPK11MAPK14LRRK2
SCHEMBL5462134 0.81 MAPK14 (0.50) IKBKEMAPK13MAPK12MAPK11MAPK14
SCHEMBL5259199 0.80 IKBKE (0.45) IKBKEMAPK13MAPK12MAPK11MAPK14
SCHEMBL5257005 0.79 CNR2 (0.45) IKBKEFYNMAT2APTPN11NUDT1

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
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-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
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 IKBKE 81/4885CNR1 793/4885MAPK13 22/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 IKBKE 95/4885CNR1 619/4885MAPK13 4/4885

“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.