SCHEMBL3358836

SCHEMBL3358836

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3R1 P27986 1/20 0.50
HDAC1 Q13547 5/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
CDK2 P24941 5/20 0.37
CCNE1 P24864 3/20 0.36
CDK4 P11802 2/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL655847 0.90 HDAC1 (0.49) MAP3K14PIK3CDPIK3R1HDAC1GAA
SCHEMBL657703 0.88 HDAC1 (0.39) MAP3K14PIK3CDPIK3R1HDAC1ALDH1A1
SCHEMBL658247 0.88 HDAC1 (0.39) MAP3K14PIK3CDPIK3R1HDAC1AKT1
SCHEMBL3353564 0.86 HDAC1 (0.56) MAP3K14PIK3CDPIK3R1HDAC1CDK2
SCHEMBL657216 0.85 CDK2 (0.37) MAP3K14HDAC1AKT1AKT2CDK2
SCHEMBL3348358 0.85 CDK2 (0.52) HDAC1ALDH1A1CDK2CCNE1CDK4
SCHEMBL658769 0.85 MKNK1 (0.46) MAP3K14PIK3CDPIK3R1HDAC1ALDH1A1
SCHEMBL655707 0.85 HDAC1 (0.39) MAP3K14PIK3CDPIK3R1HDAC1AKT1
SCHEMBL658761 0.84 AKT1 (0.47) MAP3K14HDAC1ALDH1A1GAAAKT1
SCHEMBL3351547 0.83 ALDH1A1 (0.41) MAP3K14PIK3CDPIK3R1HDAC1ALDH1A1

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 2 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-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 (1 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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MAP3K14 1513/4885PIK3CD 1541/4885PIK3R1 1198/4885

“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.