SCHEMBL7975428

SCHEMBL7975428

COC(=O)c1ccc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.47
CDK4 P11802 4/20 0.47
CCNE1 P24864 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ROCK1 Q13464 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 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
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 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
SCHEMBL7978508 0.90 CDK2 (0.51) CDK2CDK4CCNE1KDM4EMEN1
SCHEMBL7975631 0.89 CDK2 (0.44) CDK2CDK4CCNE1KDM4EROCK1
SCHEMBL700609 0.88 CDK2 (0.47) CDK2CDK4CCNE1KDM4EMEN1
SCHEMBL7978465 0.87 CDK2 (0.47) CDK2CDK4CCNE1KDM4EROCK1
SCHEMBL700463 0.83 HDAC1 (0.60) CDK2CDK4CCNE1
SCHEMBL10252168 0.83 XIAP (0.47) CDK2CDK4CCNE1KDM4EROCK1
SCHEMBL7978525 0.81 CDK2 (0.73) CDK2CDK4CCNE1KDM4EMEN1
SCHEMBL10252455 0.80 CDK2 (0.45) CDK2CDK4CCNE1MAPTPOLB
SCHEMBL700084 0.79 XIAP (0.45) CDK2CDK4CCNE1LMNAXIAP
SCHEMBL7965116 0.79 TGFBR1 (0.40) CDK2CDK4CCNE1KDM4EMAPT

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed

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.