SCHEMBL5454868

SCHEMBL5454868

C=CCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.58
CSNK1D P48730 3/20 0.58
MAPK13 O15264 2/20 0.58
MAPK12 P53778 2/20 0.58
MAPK11 Q15759 2/20 0.58
CSNK1E P49674 2/20 0.58
BRAF P15056 4/20 0.50
SRC P12931 2/20 0.50
KDR P35968 2/20 0.50
MAP4K4 O95819 2/20 0.41
MAPK9 P45984 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CDC42BPA Q5VT25 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
PTGS2 P35354 2/20 0.41
EGFR P00533 1/20 0.40
FRK P42685 1/20 0.40

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 SCHEMBL5868754 0.99 MAPK14 (0.57) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1645205 0.83 MAPK14 (0.58) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL8632132 0.81 PTGS2 (0.64) PTGS2
SCHEMBL7779311 0.81 PTGS2 (0.50) PTGS2
SCHEMBL16105527 0.81 MAPK14 (0.61) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL6077523 0.81 CSNK1D (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1644870 0.81 MAPK14 (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1647484 0.81 MAPK14 (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1892201 0.81 CSNK1D (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1646015 0.80 MAPK14 (0.59) MAPK14CSNK1DMAPK13MAPK12MAPK11

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 MAPK14 12/4885CSNK1D 254/4885MAPK13 22/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK14 7/4885CSNK1D 1168/4885MAPK13 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.