SCHEMBL6089429

SCHEMBL6089429

CCCCCc1c[nH]nc1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR8 Q9NR97 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PDPK1 O15530 1/20 0.32
APAF1 O14727 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6089012 0.82 CYP1A2 (0.46) CCNB2CDK1CCNB1CCNB3CCNE2
SCHEMBL5584092 0.77 GPR84 (0.49) CDK1CDK2LIPGGSK3AGSK3B
SCHEMBL28030489 0.77 CYP1A2 (0.47) CCNB2CDK1CCNB1CCNB3CCNE2
SCHEMBL2123501 0.75 PPARA (0.50) CCNE2CCNE1CDK2L3MBTL1TDP1
SCHEMBL5333972 0.74 TDP1 (0.37) CCNB2CDK1CCNB1CCNB3CCNE2
SCHEMBL27378739 0.72 TYR (0.37) TDP1LIPGALOX5PTGS2KCNH2
SCHEMBL370841 0.72 TDP1 (0.35) L3MBTL1TDP1LIPGALOX5PTGS2
SCHEMBL7468600 0.71 LIPG (0.47) L3MBTL1TDP1LIPGALOX5PTGS2
SCHEMBL3642585 0.71 LIPG (0.35) CCNE2CCNE1CDK2L3MBTL1TDP1
SCHEMBL1880278 0.70 ALOX5 (0.44) TDP1LIPGALOX5PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 CCNB2 1953/4885CDK1 386/4885CCNB1 2093/4885
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 CCNB2 1953/4885CDK1 386/4885CCNB1 2093/4885

“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.