SCHEMBL6089012

SCHEMBL6089012

CCCCCc1c[nH]nc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
LRRK2 Q5S007 1/20 0.38
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL28030489 0.96 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6089429 0.82 CCNB2 (0.34) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL5584092 0.79 GPR84 (0.49) CYP1A2CYP2C9CYP2C19CDK1CDK2
SCHEMBL7741609 0.78 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL8858058 0.78 CYP1A2 (0.45) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7207311 0.78 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5138400 0.78 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4475658 0.78 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2410544 0.78 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27742366 0.78 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 9 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
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 CYP1A2 238/4885CYP2D6 949/4885CYP19A1 917/4885
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 CYP1A2 238/4885CYP2D6 949/4885CYP19A1 917/4885

“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.