SCHEMBL658247

SCHEMBL658247

Cc1nc2ccc(C(F)(F)F)cn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.39
CDK4 P11802 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAP3K14 Q99558 2/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
EIF2AK4 Q9P2K8 4/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
MCHR1 Q99705 3/20 0.35
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL655847 0.89 HDAC1 (0.49) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL3357617 0.88 CCNE1 (0.40) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL3358836 0.88 MAP3K14 (0.50) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL3357078 0.87 HDAC1 (0.55) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL657703 0.86 HDAC1 (0.39) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL658497 0.85 CDK4 (0.36) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL657216 0.84 CDK2 (0.37) HDAC1CDK4CCNE1CDK2HDAC6
SCHEMBL3348358 0.84 CDK2 (0.52) HDAC1CDK4CCNE1CDK2
SCHEMBL3350978 0.83 GABRD (0.37) HDAC1HDAC6HDAC3HDAC2AKT1
SCHEMBL658769 0.83 MKNK1 (0.46) HDAC1CDK2MAP3K14AKT1AKT2

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 1/4885CDK4 276/4885CCNE1 1992/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885CDK4 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.