SCHEMBL657125

SCHEMBL657125

Cc1nc2c(F)cccn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.39
HDAC6 Q9UBN7 3/20 0.38
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CDK4 P11802 2/20 0.36
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
IDO1 P14902 2/20 0.34
GUCY1B2 O75343 2/20 0.34
GUCY1A2 P33402 2/20 0.34
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 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
SCHEMBL657671 0.88 HDAC1 (0.53) HDAC1CCNE1CDK2CDK4
SCHEMBL3348358 0.85 CDK2 (0.52) HDAC1CCNE1CDK2CDK4
SCHEMBL3348806 0.83 HDAC6 (0.38) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL3352703 0.80 CCNE1 (0.36) HDAC1HDAC6CCNE1CDK2CDK4
SCHEMBL657216 0.80 CDK2 (0.37) HDAC1HDAC6CCNE1CDK2CDK4
SCHEMBL699931 0.80 CAMK2D (0.53) HDAC1HDAC6CCNE1CDK2CDK4
SCHEMBL3352680 0.80 HDAC1 (0.37) HDAC1HDAC6HDAC8IDO1GUCY1B2
SCHEMBL657967 0.80 AKT1 (0.42) HDAC1HDAC6CCNE1CDK2CDK4
SCHEMBL3357617 0.79 CCNE1 (0.40) HDAC1HDAC6CCNE1CDK2CDK4
SCHEMBL655847 0.79 HDAC1 (0.49) HDAC1HDAC6CCNE1CDK2CDK4

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 1/4885HDAC6 7/4885CCNE1 1992/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC6 7/4885CCNE1 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.