SCHEMBL655707

SCHEMBL655707

COCCOc1ccc2nc(C)c(-c3ccnc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)n2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.39
AKT1 P31749 3/20 0.35
AKT2 P31751 3/20 0.35
MAP3K14 Q99558 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CDK4 P11802 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ADAM17 P78536 4/20 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
SCHEMBL657703 0.92 HDAC1 (0.39) HDAC1AKT1AKT2MAP3K14PIK3CD
SCHEMBL658275 0.88 AKT1 (0.36) HDAC1AKT1AKT2CDK4CCNE1
SCHEMBL658761 0.88 AKT1 (0.47) HDAC1AKT1AKT2MAP3K14
SCHEMBL655483 0.87 HDAC1 (0.54) HDAC1
SCHEMBL655847 0.86 HDAC1 (0.49) HDAC1AKT1AKT2MAP3K14PIK3CD
SCHEMBL3351646 0.85 AKT1 (0.35) HDAC1AKT1AKT2PIM1PIM2
SCHEMBL3358836 0.85 MAP3K14 (0.50) HDAC1AKT1AKT2MAP3K14PIK3CD
SCHEMBL658247 0.83 HDAC1 (0.39) HDAC1AKT1AKT2MAP3K14PIK3CD
SCHEMBL3352993 0.83 AKT1 (0.36) HDAC1AKT1AKT2PIM1PIM2
SCHEMBL700984 0.82 CDK2 (0.47) HDAC1CDK4CCNE1CDK2

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

“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.