SCHEMBL657269

SCHEMBL657269

COCCNC(=O)c1ccn2c(-c3ccnc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CC4)n3)c(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.51
HDAC3 O15379 2/20 0.39
AKT1 P31749 2/20 0.37
AKT2 P31751 2/20 0.37
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 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
SCHEMBL656858 0.90 HDAC1 (0.53) HDAC1HDAC3AKT1AKT2
SCHEMBL657800 0.90 HDAC1 (0.53) HDAC1HDAC3AKT1AKT2CDK4
SCHEMBL657168 0.89 HDAC1 (0.52) HDAC1
SCHEMBL657139 0.89 HDAC1 (0.54) HDAC1AKT1AKT2CDK4CCNE1
SCHEMBL658254 0.88 HDAC1 (0.48) HDAC1
SCHEMBL657853 0.88 AKT1 (0.38) HDAC1AKT1AKT2CDK4CCNE1
SCHEMBL3357394 0.87 HDAC1 (0.53) HDAC1HDAC3CDK4CCNE1CDK2
SCHEMBL3351130 0.86 HDAC1 (0.43) HDAC1HDAC3AKT1AKT2
SCHEMBL658533 0.85 HDAC1 (0.67) HDAC1CDK4CCNE1CDK2
SCHEMBL700712 0.85 HDAC1 (0.59) HDAC1HDAC3CDK4CCNE1CDK2

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 3 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 claimed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 4/4885AKT1 1338/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 4/4885AKT1 1338/4885

“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.