SCHEMBL5450002

SCHEMBL5450002

Clc1ccc(-c2[nH]nc(CCN3CCNCC3)c2-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 16/20 0.53
MAPK14 Q16539 16/20 0.53
MAPK13 O15264 11/20 0.53
MAPK12 P53778 11/20 0.53
LSS P48449 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
THRB P10828 1/20 0.39

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
Water SCHEMBL6221859 0.99 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL5452540 0.90 MAPK11 (0.66) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL5448062 0.89 MAPK14 (0.50) MAPK11MAPK14MAPK13MAPK12CYP3A4
SCHEMBL7741806 0.88 LSS (0.52) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL14519682 0.81 MAPK14 (0.55) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL5447921 0.79 MAPK11 (0.67) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL5447926 0.78 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5255649 0.77 MAPK11 (0.76) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL5258115 0.77 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12HTR1A
Hydrochloric Acid SCHEMBL5259493 0.76 MAPK11 (0.74) MAPK11MAPK14MAPK13MAPK12LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 12/4885MAPK13 22/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK11 42/4885MAPK14 7/4885MAPK13 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.