SCHEMBL699310

SCHEMBL699310

Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.78
CDK2 P24941 7/20 0.62
IGF1R P08069 2/20 0.62
JAK2 O60674 1/20 0.58
CDK1 P06493 2/20 0.52
CDK4 P11802 2/20 0.52
HDAC3 O15379 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
ABL1 P00519 2/20 0.52
PDGFRB P09619 2/20 0.52
KDR P35968 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
NCOR1 O75376 1/20 0.51

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
SCHEMBL699649 0.93 HDAC1 (0.79) HDAC1CDK2IGF1RJAK2HDAC3
SCHEMBL699239 0.90 HDAC1 (0.69) HDAC1CDK2IGF1RJAK2CDK1
SCHEMBL700733 0.90 HDAC1 (0.68) HDAC1CDK2IGF1RJAK2HDAC3
SCHEMBL699668 0.88 HDAC1 (0.78) HDAC1CDK2IGF1RJAK2HDAC3
SCHEMBL699361 0.87 HDAC1 (0.59) HDAC1CDK2IGF1RJAK2HDAC3
SCHEMBL699852 0.86 HDAC1 (0.68) HDAC1CDK2JAK2HDAC3HDAC2
SCHEMBL699645 0.86 CDK2 (0.67) HDAC1CDK2IGF1RJAK2CDK1
SCHEMBL701007 0.85 HDAC1 (0.57) HDAC1CDK2IGF1RHDAC2
SCHEMBL701663 0.85 HDAC1 (0.63) HDAC1CDK2JAK2CDK1CDK4
SCHEMBL699145 0.84 HDAC1 (0.79) HDAC1CDK2JAK2CDK1CDK4

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 9 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-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
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.