SCHEMBL700138

SCHEMBL700138

Cc1cnc(Nc2cccc(C(=O)NO)c2)nc1-c1c(C)nc2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.48
CDK4 P11802 2/20 0.47
CCNE1 P24864 2/20 0.47
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KLF5 Q13887 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NR2F2 P24468 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IGF1R P08069 2/20 0.44
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43

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
SCHEMBL700828 0.90 CDK2 (0.49) CDK2CDK4CCNE1HDAC6HDAC3
SCHEMBL701896 0.87 HDAC1 (0.52) CDK2CCNE1LMNAIGF1RHDAC6
SCHEMBL700975 0.86 CDK2 (0.50) CDK2IGF1RHDAC6HDAC3HDAC1
SCHEMBL700587 0.84 CDK2 (0.69) CDK2CDK4CCNE1IGF1RHDAC1
SCHEMBL18040812 0.82 CDK2 (0.51) CDK2CDK4CCNE1LMNAMAPT
SCHEMBL13985098 0.80 GAA (0.51) CDK2CDK4CCNE1CACNA1BAPBA1
SCHEMBL13985102 0.77 MAPT (0.52) CDK2CACNA1BAPBA1KLF5LMNA
SCHEMBL3644534 0.77 MAPT (0.74) CDK2CACNA1BAPBA1KLF5LMNA
SCHEMBL699908 0.77 HDAC1 (0.58) CDK2CDK4HDAC6HDAC3HDAC1
SCHEMBL1684769 0.75 CDK2 (0.50) CDK2CDK4CCNE1LMNAGAA

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 2 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

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.