SCHEMBL699041

SCHEMBL699041

O=C(NO)c1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.68
IGF1R P08069 4/20 0.58
CAMK2D Q13557 1/20 0.51
CDK1 P06493 2/20 0.51
CDK4 P11802 2/20 0.51
MAPK8 P45983 4/20 0.50
IRAK4 Q9NWZ3 3/20 0.50
MAPK9 P45984 3/20 0.50
HDAC1 Q13547 1/20 0.50
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
PRKCA P17252 2/20 0.48
PRKD3 O94806 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
PDGFRB P09619 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
PRKCH P24723 1/20 0.48
PRKCI P41743 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
SCHEMBL7989223 0.90 CDK2 (0.71) CDK2IGF1RCAMK2DCDK1CDK4
SCHEMBL16540727 0.89 CDK2 (0.70) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL4810750 0.89 CDK2 (0.70) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL699645 0.89 CDK2 (0.67) CDK2IGF1RCAMK2DCDK1CDK4
SCHEMBL10251812 0.87 CDK2 (0.67) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL699239 0.86 HDAC1 (0.69) CDK2IGF1RCDK1CDK4HDAC1
SCHEMBL1684782 0.83 CDK2 (0.77) CDK2IGF1RCDK1CDK4MAPK8
SCHEMBL700587 0.83 CDK2 (0.69) CDK2IGF1RCDK1CDK4IRAK4
SCHEMBL700975 0.83 CDK2 (0.50) CDK2IGF1RCDK1IRAK4HDAC1
SCHEMBL3680281 0.82 PKM (0.70) IRAK4PKM

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 16/4885IGF1R 1719/4885CAMK2D 487/4885

“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.