SCHEMBL700082

SCHEMBL700082

Cc1nc2ccccn2c1-c1ccnc(Nc2cc(C(=O)NO)cs2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.59
CDK4 P11802 6/20 0.59
CCNE1 P24864 5/20 0.59
HDAC1 Q13547 4/20 0.50
CDK1 P06493 1/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
KLF5 Q13887 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL7964815 0.91 CDK2 (0.63) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL7964820 0.89 CDK2 (0.59) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL700158 0.87 HDAC1 (0.68) CDK2CDK4CCNE1HDAC1
SCHEMBL706570 0.84 CDK2 (0.65) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL702195 0.84 CDK2 (0.62) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL699562 0.84 CDK2 (0.73) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL700587 0.83 CDK2 (0.69) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL701210 0.83 CDK2 (0.60) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL10252165 0.82 CDK2 (0.49) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL700116 0.81 CDK2 (0.61) CDK2CDK4CCNE1HDAC1CDK1

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 7 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 claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
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.