SCHEMBL658275

SCHEMBL658275

COCCOc1ccn2c(-c3ccnc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)c(C)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.36
AKT2 P31751 3/20 0.36
HDAC1 Q13547 5/20 0.36
IGF1R P08069 3/20 0.35
RIPK2 O43353 1/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CDK4 P11802 2/20 0.35
KDR P35968 3/20 0.33
CSF1R P07333 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
SCHEMBL658869 0.92 HDAC1 (0.36) AKT1AKT2HDAC1IGF1RCCNE1
SCHEMBL655254 0.92 IGF1R (0.42) AKT1AKT2HDAC1IGF1RCCNE1
SCHEMBL658786 0.88 HDAC1 (0.45) HDAC1CSF1R
SCHEMBL655707 0.88 HDAC1 (0.39) AKT1AKT2HDAC1CCNE1CDK2
SCHEMBL657168 0.88 HDAC1 (0.52) HDAC1IGF1R
SCHEMBL657853 0.88 AKT1 (0.38) AKT1AKT2HDAC1CCNE1CDK2
SCHEMBL3356590 0.87 AKT1 (0.42) AKT1AKT2HDAC1CCNE1CDK2
SCHEMBL3352248 0.86 AKT1 (0.36) AKT1AKT2HDAC1RIPK2KDR
SCHEMBL657967 0.85 AKT1 (0.42) AKT1AKT2HDAC1CCNE1CDK2
SCHEMBL3352703 0.84 CCNE1 (0.36) AKT1AKT2HDAC1CCNE1CDK2

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 AKT1 1338/4885AKT2 981/4885HDAC1 1/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 AKT1 1338/4885AKT2 981/4885HDAC1 1/4885

“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.