SCHEMBL3348358

SCHEMBL3348358

Cc1nc2ccccn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.52
CDK4 P11802 5/20 0.52
CCNE1 P24864 4/20 0.52
HDAC1 Q13547 4/20 0.49
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3357662 0.90 CDK2 (0.50) CDK2CDK4CCNE1HDAC1KDM4E
SCHEMBL658533 0.87 HDAC1 (0.67) CDK2CDK4CCNE1HDAC1
SCHEMBL657216 0.87 CDK2 (0.37) CDK2CDK4CCNE1HDAC1
SCHEMBL657967 0.86 AKT1 (0.42) CDK2CDK4CCNE1HDAC1
SCHEMBL655847 0.86 HDAC1 (0.49) CDK2CDK4CCNE1HDAC1
SCHEMBL3358836 0.85 MAP3K14 (0.50) CDK2CDK4CCNE1HDAC1KDM4E
SCHEMBL657125 0.85 HDAC1 (0.39) CDK2CDK4CCNE1HDAC1
SCHEMBL3352703 0.85 CCNE1 (0.36) CDK2CDK4CCNE1HDAC1
SCHEMBL3356590 0.85 AKT1 (0.42) CDK2CDK4CCNE1HDAC1
SCHEMBL658869 0.85 HDAC1 (0.36) CDK2CDK4CCNE1HDAC1

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 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 (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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 CDK2 213/4885CDK4 276/4885CCNE1 1992/4885

“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.