SCHEMBL656639

SCHEMBL656639

Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.52
F2RL1 P55085 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
BRD4 O60885 1/20 0.36
JAK1 P23458 1/20 0.36
JAK2 O60674 1/20 0.36
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ATR Q13535 2/20 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
SCHEMBL3355385 0.90 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL658769 0.87 MKNK1 (0.46) HDAC1F2RL1CDK2
SCHEMBL655630 0.87 HDAC1 (0.68) HDAC1JAK2CDK4CCNE1CDK2
SCHEMBL3353564 0.87 HDAC1 (0.56) HDAC1CDK4CCNE1CDK2
SCHEMBL3356523 0.86 HDAC1 (0.44) HDAC1F2RL1HDAC3HDAC4HDAC7
SCHEMBL657662 0.85 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3357078 0.85 HDAC1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL658533 0.85 HDAC1 (0.67) HDAC1CDK4CCNE1CDK2
SCHEMBL700602 0.85 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL656858 0.84 HDAC1 (0.53) HDAC1HDAC3

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 1/4885F2RL1 2461/4885HDAC3 4/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885F2RL1 2461/4885HDAC3 4/4885

“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.