SCHEMBL701105

SCHEMBL701105

Cc1nc2ccc(C(F)(F)F)cn2c1-c1ccnc(Nc2ccc(C(=O)NO)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.45
CCNE1 P24864 4/20 0.45
CDK4 P11802 4/20 0.45
HDAC1 Q13547 5/20 0.41
MAP3K14 Q99558 2/20 0.37
SRC P12931 3/20 0.37
ZAP70 P43403 3/20 0.37
SYK P43405 3/20 0.37
GSK3B P49841 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL701720 0.87 HDAC1 (0.55) CDK2CCNE1CDK4HDAC1
SCHEMBL701790 0.87 CDK2 (0.47) CDK2CCNE1CDK4HDAC1SRC
SCHEMBL700146 0.85 CDK2 (0.49) CDK2CCNE1CDK4HDAC1SYK
SCHEMBL13985109 0.84 MAPT (0.41) CDK2SYKGSK3B
SCHEMBL702195 0.83 CDK2 (0.62) CDK2CCNE1CDK4HDAC1GSK3B
SCHEMBL13984946 0.81 MCHR1 (0.34) HDAC1
SCHEMBL7977600 0.78 CDK2 (0.53) CDK2CCNE1CDK4HDAC1GSK3B
SCHEMBL700180 0.78 CDK2 (0.49) CDK2CCNE1CDK4HDAC1SRC
SCHEMBL699362 0.77 CDK2 (0.43) CDK2CCNE1CDK4SYKGSK3B
SCHEMBL700312 0.76 HDAC1 (0.51) CDK2CCNE1CDK4HDAC1

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885CCNE1 75/4885CDK4 15/4885

“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.