SCHEMBL700828

SCHEMBL700828

Cc1cnc(Nc2ccc(C(=O)NO)cc2)nc1-c1c(C)nc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.49
CDK4 P11802 3/20 0.49
CCNE1 P24864 2/20 0.49
HDAC6 Q9UBN7 3/20 0.44
FLT3 P36888 2/20 0.44
HDAC1 Q13547 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
RPS6KB1 P23443 1/20 0.44
FLT4 P35916 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CSNK2A1 P68400 1/20 0.44
DYRK1A Q13627 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
PIM3 Q86V86 1/20 0.44

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
SCHEMBL18040812 0.90 CDK2 (0.51) CDK2CDK4CCNE1FLT3PRKD3
SCHEMBL700138 0.90 CDK2 (0.48) CDK2CDK4CCNE1HDAC6HDAC1
SCHEMBL699908 0.86 HDAC1 (0.58) CDK2CDK4HDAC6HDAC1HDAC3
SCHEMBL699813 0.85 CDK2 (0.50) CDK2HDAC6FLT3HDAC1RPS6KB1
SCHEMBL699562 0.83 CDK2 (0.73) CDK2CDK4CCNE1HDAC6FLT3
SCHEMBL1684769 0.81 CDK2 (0.50) CDK2CDK4CCNE1FLT3PRKD3
SCHEMBL4201089 0.79 PRKD3 (0.52) CDK2HDAC6FLT3HDAC1PRKD3
SCHEMBL13985103 0.78 CDK2 (0.51) CDK2CDK4CCNE1HDAC6FLT3
SCHEMBL701896 0.77 HDAC1 (0.52) CDK2CCNE1HDAC6HDAC1HDAC3
SCHEMBL700609 0.77 CDK2 (0.47) CDK2CDK4CCNE1HDAC6FLT3

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 16/4885CDK4 15/4885CCNE1 75/4885

“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.