SCHEMBL655677

SCHEMBL655677

COC(=O)c1cc2nc(C)c(-c3ccnc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)n2cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
HDAC6 Q9UBN7 4/20 0.32
HDAC1 Q13547 12/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.32
MAPT P10636 1/20 0.31
KDM1A O60341 2/20 0.31
ADAM17 P78536 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL3356590 0.87 AKT1 (0.42) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL658497 0.87 CDK4 (0.36) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL659399 0.85 CCNE1 (0.33) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL657216 0.84 CDK2 (0.37) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL658869 0.84 HDAC1 (0.36) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL658780 0.82 HPGDS (0.40) HDAC6HDAC1HDAC3HDAC2
SCHEMBL657967 0.82 AKT1 (0.42) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL3357617 0.82 CCNE1 (0.40) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL657703 0.81 HDAC1 (0.39) CCNE1CDK2CDK4HDAC6HDAC1
SCHEMBL658275 0.81 AKT1 (0.36) CCNE1CDK2CDK4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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 (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 CCNE1 1992/4885CDK2 213/4885CDK4 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.