SCHEMBL9910025

SCHEMBL9910025

CNC(=O)c1ccc(C2(c3nc(-c4cnc(C)n4C(C)C)cs3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.53
KCNH2 Q12809 8/20 0.48
CDK4 P11802 1/20 0.41
CDKL1 Q00532 1/20 0.41
CDK1 P06493 5/20 0.41

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
SCHEMBL1919479 0.93 CDK2 (0.45) CDK2KCNH2CDK4CDKL1CDK1
SCHEMBL1918780 0.85 HDAC1 (0.40) CDK2KCNH2
SCHEMBL9910029 0.85 CDK2 (0.38) CDK2KCNH2
SCHEMBL2699027 0.83 HDAC1 (0.40) CDK2KCNH2CDK4CDKL1
SCHEMBL2697278 0.82 HDAC1 (0.39) CDK2KCNH2
SCHEMBL9910031 0.81 CDK2 (0.35) CDK2KCNH2CDK4CDK1
SCHEMBL3354545 0.78 HDAC6 (0.36)
SCHEMBL659119 0.76 CDK2 (0.54) CDK2KCNH2CDK4CDKL1CDK1
SCHEMBL9910027 0.76 GRM1 (0.43)
SCHEMBL9910030 0.75 MAPT (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 CDK2 213/4885KCNH2 4061/4885CDK4 276/4885

“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.