SCHEMBL5450003

SCHEMBL5450003

CN1CCN(c2n[nH]c(-c3ccc(N(C)C)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 12/20 0.74
MAPK14 Q16539 12/20 0.74
MAPK13 O15264 11/20 0.74
MAPK12 P53778 11/20 0.74
HSD17B10 Q99714 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAP4K1 Q92918 1/20 0.48
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL5444344 0.86 MAPK14 (0.80) MAPK11MAPK14MAPK13MAPK12MAPK1
SCHEMBL5455052 0.86 MAPK11 (0.80) MAPK11MAPK14MAPK13MAPK12MAPK1
SCHEMBL5255877 0.85 MAPK14 (0.78) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5257013 0.85 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5459001 0.85 MAPK14 (0.77) MAPK11MAPK14MAPK13MAPK12MAPK1
Water SCHEMBL7255385 0.84 MAPK14 (0.76) MAPK11MAPK14MAPK13MAPK12
SCHEMBL5443345 0.83 MAPK11 (0.74) MAPK11MAPK14MAPK13MAPK12ALDH1A1
SCHEMBL14519608 0.83 MAPK11 (0.74) MAPK11MAPK14MAPK13MAPK12MAP4K1
SCHEMBL5450166 0.83 MAPK11 (0.74) MAPK11MAPK14MAPK13MAPK12MAPK1
SCHEMBL14519606 0.83 MAPK11 (0.74) MAPK11MAPK14MAPK13MAPK12MAP4K1

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 15 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-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
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.