SCHEMBL655630

SCHEMBL655630

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

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.68
EPHB3 P54753 1/20 0.42
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CDK4 P11802 1/20 0.39
JAK2 O60674 1/20 0.37

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
SCHEMBL3353564 0.91 HDAC1 (0.56) HDAC1CCNE1CDK2CDK4
SCHEMBL657662 0.89 HDAC1 (0.55) HDAC1
SCHEMBL3357078 0.89 HDAC1 (0.55) HDAC1CCNE1CDK2CDK4
SCHEMBL658533 0.89 HDAC1 (0.67) HDAC1CCNE1CDK2CDK4
SCHEMBL655847 0.87 HDAC1 (0.49) HDAC1EPHB3CCNE1CDK2CDK4
SCHEMBL656639 0.87 HDAC1 (0.52) HDAC1CCNE1CDK2CDK4JAK2
SCHEMBL655483 0.87 HDAC1 (0.54) HDAC1
SCHEMBL656858 0.86 HDAC1 (0.53) HDAC1
SCHEMBL3352603 0.85 HDAC1 (0.58) HDAC1EPHB3
SCHEMBL657139 0.84 HDAC1 (0.54) HDAC1CCNE1CDK2CDK4

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 1/4885EPHB3 4867/4885CCNE1 1992/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885EPHB3 4867/4885CCNE1 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.