SCHEMBL6310319

SCHEMBL6310319

OC(c1ccc(Cl)cc1)c1n[nH]cc1-c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
GCGR P47871 6/20 0.38
AKT1 P31749 5/20 0.38
MAPK14 Q16539 5/20 0.38
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL6302054 0.85 MAPK1 (0.40) GCGRMAPK14
SCHEMBL6304985 0.76 ROCK1 (0.43) AKT1MAPK14CYP11B1CYP11B2
SCHEMBL6302081 0.72 MAPK13 (0.45) CYP19A1AKT1MAPK14
SCHEMBL5256520 0.72 GCGR (0.49) GCGRMAPK14
SCHEMBL6078860 0.72 GCGR (0.49) GCGRMAPK14
SCHEMBL2907043 0.72 CYP19A1 (0.68) CYP19A1AKT1CYP17A1CYP3A4CYP11B1
SCHEMBL28831872 0.72 DYRK1A (0.38) GCGRMAPK14CYP3A4CCNCCDK8
SCHEMBL6302201 0.69 MAPK1 (0.47) GCGRMAPK14CCNCCDK8
SCHEMBL14411785 0.68 IMPDH2 (0.41) AKT1
SCHEMBL6303910 0.68 ROCK2 (0.43) GCGRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144529-A1 Pyrazole derivatives as p38 kinase inhibitors PHARMACIA CORPORATION 2003-07-31 US claimed
EP-1019394-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-07-19 EP claimed
US-6087381-A AN ENZYME INHIBITOR FOR INHIBITING PHOSPHORYLATION MEDIATE THE PRODUCTION OF INFLAMMATORY CYTOKINES, TUMOR NECROSIS FACTOR; TREATING INFLAMMATION, ARTHRITIS, A TNF MEDICATED DISORDER G. D. SEARLE & COMPANY (US) 2000-07-11 US claimed
WO-1998052941-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO claimed
US-6852740-B2 Pyrazole derivatives as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2005-02-08 US disclosed
US-20030144529-A1 Pyrazole derivatives as p38 kinase inhibitors PHARMACIA CORPORATION 2003-07-31 US disclosed
US-6503930-B1 Treating cytokine-mediated diseases, such as inflammation G.D. SEARLE & COMPANY 2003-01-07 US disclosed
US-6087381-A AN ENZYME INHIBITOR FOR INHIBITING PHOSPHORYLATION MEDIATE THE PRODUCTION OF INFLAMMATORY CYTOKINES, TUMOR NECROSIS FACTOR; TREATING INFLAMMATION, ARTHRITIS, A TNF MEDICATED DISORDER G. D. SEARLE & COMPANY (US) 2000-07-11 US 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 (1 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-20030144529-A1 Pyrazole derivatives as p38 kinase inhibitors MAPK1, MAPK3, MAP3K1 CYP19A1 2115/4885GCGR 1885/4885AKT1 114/4885

“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.