SCHEMBL6076732

SCHEMBL6076732

Cn1nc(-c2ccncc2)c(-c2ccc(Cl)cc2)c1N

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.74
KDR P35968 11/20 0.61
SRC P12931 9/20 0.61
BRAF P15056 8/20 0.61
RIPK2 O43353 1/20 0.53
EGFR P00533 1/20 0.53
TNK2 Q07912 1/20 0.53
PTK6 Q13882 1/20 0.53
MINK1 Q8N4C8 1/20 0.53
MAPK11 Q15759 2/20 0.44
MAPT P10636 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 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
SCHEMBL6177947 0.85 MAPK14 (1.00) MAPK14KDRSRCBRAFRIPK2
SCHEMBL5255663 0.83 MAPK14 (0.51) MAPK14KDRSRCBRAFRIPK2
SCHEMBL1800179 0.77 MAPK14 (0.43) MAPK14KDRSRCBRAFRIPK2
SCHEMBL14839384 0.76 BRAF (1.00) MAPK14KDRSRCBRAFRIPK2
SCHEMBL20075458 0.76 ADORA2A (0.43) MAPK14KDRSRCRIPK2EGFR
SCHEMBL6180875 0.75 MAPK14 (0.60) MAPK14KDRSRCBRAFRIPK2
SCHEMBL19926278 0.75 MAPT (0.68) MAPK14KDRSRCBRAFMAPT
SCHEMBL5254957 0.74 PDE2A (0.49) MAPK14KDRSRCBRAFMAPK11
SCHEMBL26713552 0.74 MAPK14 (0.58) MAPK14KDRSRCBRAFMAPK11
SCHEMBL5258683 0.71 SRC (0.46) MAPK14KDRSRCBRAFRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2004-07-29 US claimed
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2002-07-04 US claimed
US-6335336-B1 TREATING TUMOR NECROSIS FACTOR AND MITOGEN-ACTIVATED PROTEIN KINASE(MAP) MEDIATED DISORDERS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; INFLAMMATORY BOWEL DISEASE G.D. SEARLE & COMPANY 2002-01-01 US claimed
CN-1264376-A 3(5)-Heteroaryl substituted pyrazoles as P38 kinase inhibitors SEARLE & CO (US) 2000-08-23 CN claimed
US-6087496-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-07-11 US claimed
EP-0983260-A2 3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-03-08 EP claimed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
US-7019005-B2 3 (5)-heteroaryl substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2006-03-28 US disclosed
US-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2004-07-29 US disclosed
US-6579873-B2 Treatment of inflammation, arthritis, bone disorders, respiratory system disorders PHARMACIA CORPORATION 2003-06-17 US disclosed
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2002-07-04 US disclosed
US-6335336-B1 TREATING TUMOR NECROSIS FACTOR AND MITOGEN-ACTIVATED PROTEIN KINASE(MAP) MEDIATED DISORDERS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; INFLAMMATORY BOWEL DISEASE G.D. SEARLE & COMPANY 2002-01-01 US disclosed
CN-1264376-A 3(5)-Heteroaryl substituted pyrazoles as P38 kinase inhibitors SEARLE & CO (US) 2000-08-23 CN disclosed
US-6087496-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-07-11 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
EP-0983260-A2 3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-03-08 EP disclosed
US-5932576-A USEFUL FOR TREATING P38 KINASE MEDIATED DISORDERS SUCH AS ATHEROSCLEROSIS, RHEUMATIOD ARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHERS G. D. SEARLE & COMPANY (US) 1999-08-03 US disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE 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-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 MAPK14 26/4885KDR 2306/4885SRC 742/4885
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 MAPK14 26/4885KDR 2306/4885SRC 742/4885

“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.