SCHEMBL7977059

SCHEMBL7977059

CCOC(=O)c1cnc(Nc2nccc(-c3c(C)nc4ccccn34)n2)o1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.57
CDK4 P11802 6/20 0.57
CCNE1 P24864 5/20 0.57
CDK1 P06493 1/20 0.49
HDAC1 Q13547 5/20 0.49
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7977299 0.88 CDK2 (0.64) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL701310 0.86 CDK2 (0.60) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL10255482 0.81 CDK2 (0.58) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL10252196 0.79 CDK2 (0.51) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7978525 0.75 CDK2 (0.73) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7988076 0.75 CDK2 (0.61) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL10252454 0.75 CDK2 (0.61) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL1684845 0.75 CDK2 (0.76) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL4317834 0.74 CDK2 (1.00) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7964048 0.73 CDK2 (0.61) CDK2CDK4CCNE1CDK1HDAC1

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 5 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-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
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.