SCHEMBL3353564

SCHEMBL3353564

Cc1nc2ccc(Cl)cn2c1-c1ccnc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.56
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
MAP3K14 Q99558 1/20 0.48
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL655630 0.91 HDAC1 (0.68) HDAC1CDK4CCNE1CDK2
SCHEMBL3357078 0.89 HDAC1 (0.55) HDAC1CDK4CCNE1CDK2
SCHEMBL657662 0.89 HDAC1 (0.55) HDAC1
SCHEMBL658533 0.89 HDAC1 (0.67) HDAC1CDK4CCNE1CDK2
SCHEMBL655483 0.87 HDAC1 (0.54) HDAC1
SCHEMBL656639 0.87 HDAC1 (0.52) HDAC1CDK4CCNE1CDK2
SCHEMBL656858 0.86 HDAC1 (0.53) HDAC1
SCHEMBL3358836 0.86 MAP3K14 (0.50) HDAC1PIK3CDPIK3R1MAP3K14CDK4
SCHEMBL3352482 0.85 HDAC1 (0.47) HDAC1PIK3CDPIK3R1MAP3K14
SCHEMBL657139 0.84 HDAC1 (0.54) HDAC1CDK4CCNE1CDK2

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 HDAC1 1/4885PIK3CD 1541/4885PIK3R1 1198/4885

“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.