SCHEMBL7978809

SCHEMBL7978809

Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)c(F)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.68
CDK4 P11802 6/20 0.68
CCNE1 P24864 5/20 0.68
CDK1 P06493 1/20 0.53
HDAC1 Q13547 4/20 0.53
IGF1R P08069 3/20 0.49
GSK3B P49841 2/20 0.48
AURKB Q96GD4 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
AURKA O14965 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
MAPK8 P45983 1/20 0.48
HIPK2 Q9H2X6 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
PRKD3 O94806 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL700093 0.91 CDK2 (0.63) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7978590 0.91 CDK2 (0.63) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL699278 0.86 HDAC1 (0.64) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL1684693 0.84 CDK2 (0.80) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7981339 0.84 CDK2 (0.75) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7978108 0.81 CDK2 (0.62) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL1684670 0.81 CDK2 (0.76) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7977514 0.80 CDK2 (0.69) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL10252325 0.80 CDK2 (0.49) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL1684643 0.80 CDK2 (0.86) 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 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.