SCHEMBL13636100

SCHEMBL13636100

Cc1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccc(N)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 17/20 0.51
CDK7 P50613 1/20 0.45
CDK6 Q00534 1/20 0.45
MAPKAPK2 P49137 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL2860429 0.86 CDK8 (0.56) CDK8CDK7CDK6
SCHEMBL1479164 0.85 CDK8 (0.57) CDK8CDK7CDK6MAPKAPK2
SCHEMBL13636098 0.83 PRMT1 (0.40) MAPKAPK2CA12CA1CA9
SCHEMBL13636108 0.82 CDK8 (0.52) CDK8CDK7CDK6
SCHEMBL4889660 0.82 CDK8 (0.67) CDK8CDK7CDK6
SCHEMBL31721184 0.81 NAMPT (0.54) CA12CA1CA9
SCHEMBL24362161 0.80 MAPKAPK2 (0.44) MAPKAPK2CA12CA1CA9
SCHEMBL29618960 0.80 MAPKAPK2 (0.44) MAPKAPK2CA12CA1CA9
SCHEMBL31721236 0.80 CA12 (0.48) CA12CA1CA9
SCHEMBL4942948 0.79 NAMPT (0.51) MAPKAPK2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX CDK8 2998/4885CDK7 2605/4885CDK6 3146/4885

“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.