SCHEMBL6309082

SCHEMBL6309082

Cc1n[nH]c(CCc2cccc(F)c2)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GSK3B P49841 2/20 0.39
CYP17A1 P05093 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP21A2 P08686 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B2 P19099 1/20 0.38
DAO P14920 2/20 0.38
F10 P00742 1/20 0.37
KIT P10721 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
SCHEMBL6304944 0.89 MAPK14 (0.43) MAPK14KMT2AATML3MBTL1GSK3B
SCHEMBL6305323 0.84 MAPK14 (0.53) MAPK14GSK3BROCK2MAP4K4CLK4
SCHEMBL27736020 0.73 TAAR1 (0.57) GSK3BCYP17A1CYP11B1CYP21A2TAAR1
SCHEMBL6304396 0.70 CHEK1 (0.52) CYP17A1CYP11B1CYP21A2CDK2
SCHEMBL6304393 0.70 CHEK1 (0.52) CYP17A1CYP11B1CYP21A2CDK2
SCHEMBL6304628 0.69 CYP11B1 (0.44) KMT2AATML3MBTL1GSK3BCYP17A1
SCHEMBL6302515 0.69 KMT2A (0.43) MAPK14KMT2AGSK3BCDC7ROCK2
SCHEMBL6302427 0.69 BRD4 (0.42) MAPK14CDC7ROCK2CDK2ROCK1
SCHEMBL5307626 0.69 PIK3R1 (0.43) ATMCLK4DAO
SCHEMBL14519428 0.68 NOTUM (0.43) MAPK14

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
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
EP-1019394-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-07-19 EP 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
WO-1998052941-A1 PYRAZOLE DERIVATIVES AS p38 KINASE INHIBITORS 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 (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 MAPK14 26/4885KMT2A 3185/4885ATM 531/4885

“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.