SCHEMBL658588

SCHEMBL658588

Cc1nc2cc(NCCN(C)C)ccn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.36
CDC7 O00311 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL659135 0.88 HDAC1 (0.52) HDAC1IGF1R
SCHEMBL655254 0.86 IGF1R (0.42) HDAC1CCNE1CDK2CDK4IGF1R
SCHEMBL657630 0.86
SCHEMBL3352565 0.85 HDAC6 (0.35) HDAC1CDK2
SCHEMBL703707 0.83 CDK2 (0.47) HDAC1CDC7CDK19CCNE1CDK2
SCHEMBL657967 0.83 AKT1 (0.42) HDAC1CCNE1CDK2CDK4
SCHEMBL3353302 0.83 HDAC1 (0.34) HDAC1CDK2
SCHEMBL3357617 0.83 CCNE1 (0.40) HDAC1CCNE1CDK2CDK4
SCHEMBL3352703 0.82 CCNE1 (0.36) HDAC1CCNE1CDK2CDK4
SCHEMBL658869 0.82 HDAC1 (0.36) HDAC1CCNE1CDK2CDK4IGF1R

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 1/4885CDC7 618/4885CDK19 562/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885CDC7 618/4885CDK19 562/4885

“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.