SCHEMBL655847

SCHEMBL655847

Cc1nc2ccc(Br)cn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.49
MAP3K14 Q99558 2/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
CDK4 P11802 2/20 0.37
EPHB3 P54753 1/20 0.36
PSD A5PKW4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL3358836 0.90 MAP3K14 (0.50) HDAC1MAP3K14AKT1AKT2PIK3CD
SCHEMBL657703 0.89 HDAC1 (0.39) HDAC1MAP3K14AKT1AKT2PIK3CD
SCHEMBL658247 0.89 HDAC1 (0.39) HDAC1MAP3K14AKT1AKT2PIK3CD
SCHEMBL655630 0.87 HDAC1 (0.68) HDAC1CCNE1CDK2CDK4EPHB3
SCHEMBL657216 0.86 CDK2 (0.37) HDAC1MAP3K14AKT1AKT2CCNE1
SCHEMBL3348358 0.86 CDK2 (0.52) HDAC1CCNE1CDK2CDK4
SCHEMBL658769 0.86 MKNK1 (0.46) HDAC1MAP3K14AKT1AKT2PIK3CD
SCHEMBL655707 0.86 HDAC1 (0.39) HDAC1MAP3K14AKT1AKT2PIK3CD
SCHEMBL658761 0.85 AKT1 (0.47) HDAC1MAP3K14AKT1AKT2GAA
SCHEMBL3352449 0.83 HDAC1 (0.41) HDAC1AKT1AKT2EPHB3HDAC6

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 1/4885MAP3K14 1513/4885AKT1 1338/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885MAP3K14 1513/4885AKT1 1338/4885

“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.