SCHEMBL701007

SCHEMBL701007

Nc1ccccc1NC(=O)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.57
AURKA O14965 6/20 0.50
BRD4 O60885 2/20 0.48
JAK1 P23458 2/20 0.48
CDK2 P24941 4/20 0.48
KCNH2 Q12809 2/20 0.48
AURKB Q96GD4 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IGF1R P08069 2/20 0.48
HDAC2 Q92769 1/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL700616 0.90 HDAC1 (0.56) HDAC1AURKABRD4JAK1CDK2
SCHEMBL699910 0.87 CDK2 (0.52) HDAC1AURKACDK2KCNH2AURKB
SCHEMBL699361 0.86 HDAC1 (0.59) HDAC1BRD4JAK1CDK2NPC1
SCHEMBL701008 0.85 GSK3B (0.57) HDAC1AURKACDK2KCNH2AURKB
SCHEMBL699310 0.85 HDAC1 (0.78) HDAC1CDK2IGF1RHDAC2
SCHEMBL700599 0.81 HDAC1 (0.50) HDAC1BRD4JAK1CDK2IGF1R
SCHEMBL3686398 0.81 HDAC1 (0.53) HDAC1CDK2NPC1ALDH1A1POLB
SCHEMBL699908 0.79 HDAC1 (0.58) HDAC1AURKABRD4JAK1CDK2
SCHEMBL3678119 0.79 PKM (0.64) HDAC1HDAC2
SCHEMBL700172 0.78 HDAC1 (0.59) HDAC1NPC1ALDH1A1POLBRAB9A

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 8 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

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 1/4885AURKA 123/4885BRD4 70/4885

“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.