SCHEMBL5256232

SCHEMBL5256232

N#CC(C(=O)c1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP19A1 P11511 1/20 0.44
KMT2A Q03164 2/20 0.44
NT5E P21589 1/20 0.44
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FFAR2 O15552 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RAPGEF3 O95398 1/20 0.37
AKR1C3 P42330 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6176444 0.84 LTA4H (0.50) L3MBTL1ESR2HSD17B10KMT2ALMNA
SCHEMBL19926126 0.84 CES2 (0.47) L3MBTL1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL14519387 0.84 L3MBTL1 (0.49) L3MBTL1ESR2HSD17B10KMT2ALMNA
SCHEMBL838079 0.81 L3MBTL1 (0.52) L3MBTL1ESR2HSD17B10KMT2ALMNA
SCHEMBL7198885 0.81 CES2 (0.47) L3MBTL1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL8836254 0.81 HSD17B10 (0.47) L3MBTL1ESR2HSD17B10KMT2AMAPK1
SCHEMBL4328721 0.80 MAPT (0.47) L3MBTL1CYP19A1KMT2ALMNAMEN1
SCHEMBL15022277 0.78 LMNA (0.50) L3MBTL1ESR2HSD17B10KMT2ALMNA
SCHEMBL4461300 0.78 L3MBTL1 (0.50) L3MBTL1ESR2HSD17B10KMT2ALMNA
SCHEMBL7144679 0.76 CYP19A1 (0.48) L3MBTL1CYP19A1KMT2ANT5EMAPK1

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 13 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
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 L3MBTL1 2210/4885ESR2 1817/4885HSD17B10 3036/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 L3MBTL1 2366/4885ESR2 3957/4885HSD17B10 4567/4885

“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.