SCHEMBL7980219

SCHEMBL7980219

CCOC(=O)c1ccc(Nc2nccc(-c3c(C)nc4ccc(C(F)(F)F)cn34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
CDK2 P24941 10/20 0.46
CDK4 P11802 5/20 0.46
CCNE1 P24864 5/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SYK P43405 1/20 0.44
PDPK1 O15530 1/20 0.43
CDK1 P06493 1/20 0.43
HDAC1 Q13547 1/20 0.42
GSK3B P49841 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7977600 0.88 CDK2 (0.53) CDK2CDK4CCNE1HDAC1GSK3B
SCHEMBL700146 0.88 CDK2 (0.49) CDK2CDK4CCNE1SYKCDK1
SCHEMBL4560562 0.83 PRKD3 (0.48) KDRCDK2MEN1THRBRAB9A
SCHEMBL700829 0.81 HDAC1 (0.64) KDRCDK2CDK4CCNE1HDAC1
SCHEMBL7977540 0.79 CDK2 (0.49) CDK2CDK4CCNE1SYKCDK1
SCHEMBL10251823 0.79 CDK2 (0.44) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7964916 0.78 CDK2 (0.51) KDRCDK2CDK4CCNE1MEN1
SCHEMBL7964780 0.77 CDK2 (0.54) CDK2CDK4CCNE1MEN1KMT2A
SCHEMBL699170 0.77 CDK2 (0.50) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7977441 0.77 CDK2 (0.54) CDK2CDK4CCNE1CDK1GSK3B

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 KDR 3641/4885CDK2 16/4885CDK4 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.