SCHEMBL7978102

SCHEMBL7978102

COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4cccnn34)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.50
CDK4 P11802 6/20 0.50
CCNE1 P24864 4/20 0.50
AURKA O14965 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
SYK P43405 1/20 0.46
GSK3B P49841 2/20 0.46
CDK1 P06493 1/20 0.44
MAPK1 P28482 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
SCHEMBL7978098 0.90 CDK2 (0.57) CDK2CDK4CCNE1AURKAMAPK13
SCHEMBL10285690 0.90 CDK2 (0.46) CDK2CDK4CCNE1MEN1KMT2A
SCHEMBL700061 0.88 CAMK2D (0.54) CDK2CDK4CCNE1MAPK13MAPK12
SCHEMBL10251999 0.86 ABL1 (0.48) CDK2CDK4CCNE1AURKAKDM4E
SCHEMBL7978525 0.84 CDK2 (0.73) CDK2CDK4CCNE1AURKAKDM4E
SCHEMBL6245628 0.84 CDK2 (0.69) CDK2CDK4CCNE1ABL1MAPK13
SCHEMBL699840 0.82 HDAC1 (0.63) CDK2CDK4CCNE1ABL1MAPK13
SCHEMBL6243791 0.80 CDK2 (0.57) CDK2CDK4CCNE1GSK3BCDK1
SCHEMBL7975457 0.80 CDK2 (0.55) CDK2CDK4CCNE1AURKAKDM4E
SCHEMBL7964916 0.78 CDK2 (0.51) CDK2CDK4CCNE1AURKAKDM4E

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.