SCHEMBL7988053

SCHEMBL7988053

CCOC(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.61
IGF1R P08069 3/20 0.61
CDK4 P11802 3/20 0.58
CDK1 P06493 2/20 0.58
MAPK8 P45983 3/20 0.51
MAPK9 P45984 3/20 0.51
MAPK10 P53779 2/20 0.51
JUN P05412 1/20 0.51
HDAC1 Q13547 1/20 0.51
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP3 P42574 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
CCNE1 P24864 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL7975375 0.90 CDK2 (0.66) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL1684872 0.86 CDK2 (0.70) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4811064 0.85 CDK2 (0.64) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL7978513 0.85 CDK2 (0.69) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4805850 0.84 CDK2 (0.68) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL1684922 0.84 CDK2 (0.65) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4812994 0.83 CDK2 (0.55) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL699645 0.83 CDK2 (0.67) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL4807930 0.83 CDK2 (0.59) CDK2IGF1RCDK4CDK1MAPK8
SCHEMBL12789925 0.82 PKM (0.66) CDK2MAPK8MAPK9MEN1RAB9A

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 16/4885IGF1R 1719/4885CDK4 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.