SCHEMBL699239

SCHEMBL699239

Nc1ccccc1NC(=O)c1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.69
CDK2 P24941 5/20 0.61
IGF1R P08069 4/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
ABL1 P00519 2/20 0.52
PDGFRB P09619 2/20 0.52
KDR P35968 1/20 0.52
JAK2 O60674 1/20 0.47
INSR P06213 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 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
SCHEMBL699310 0.90 HDAC1 (0.78) HDAC1CDK2IGF1RHDAC3HDAC4
SCHEMBL699041 0.86 CDK2 (0.68) HDAC1CDK2IGF1RABL1PDGFRB
SCHEMBL16540727 0.85 CDK2 (0.70) HDAC1CDK2IGF1RKDRPRKD3
SCHEMBL699906 0.85 HDAC1 (0.70) HDAC1CDK2IGF1RHDAC3HDAC4
SCHEMBL700599 0.85 HDAC1 (0.50) HDAC1CDK2IGF1RHDAC3HDAC4
SCHEMBL7989223 0.84 CDK2 (0.71) CDK2IGF1RABL1BCRPRKCA
SCHEMBL4810750 0.84 CDK2 (0.70) HDAC1CDK2IGF1RABL1PDGFRB
SCHEMBL699649 0.83 HDAC1 (0.79) HDAC1CDK2IGF1RHDAC3HDAC4
SCHEMBL10251812 0.82 CDK2 (0.67) HDAC1CDK2IGF1RABL1BCR
SCHEMBL273135 0.81 CDK2 (0.60) HDAC1CDK2HDAC3HDAC4HDAC7

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 HDAC1 1/4885CDK2 16/4885IGF1R 1719/4885

“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.