SCHEMBL700599

SCHEMBL700599

Cc1cnc(Nc2cccc(C(=O)Nc3ccccc3N)c2)nc1-c1cnc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.50
JAK1 P23458 5/20 0.48
HDAC3 O15379 5/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC4 P56524 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
CDK2 P24941 2/20 0.48
IGF1R P08069 1/20 0.48
BRD4 O60885 3/20 0.46
ABL1 P00519 3/20 0.45
PDGFRB P09619 3/20 0.45
KDR P35968 3/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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 0.91 HDAC1 (0.56) HDAC1JAK1HDAC3HDAC7HDAC9
SCHEMBL701896 0.88 HDAC1 (0.52) HDAC1JAK1HDAC3HDAC7HDAC9
SCHEMBL700975 0.87 CDK2 (0.50) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL699239 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL13970133 0.84 HDAC1 (0.47) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL701007 0.81 HDAC1 (0.57) HDAC1JAK1HDAC2CDK2IGF1R
SCHEMBL13984935 0.81 HDAC1 (0.47) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL699908 0.78 HDAC1 (0.58) HDAC1JAK1HDAC3HDAC7HDAC9
SCHEMBL13970134 0.78 HDAC1 (0.42) HDAC1HDAC3HDAC7HDAC9HDAC5
SCHEMBL699813 0.77 CDK2 (0.50) HDAC1JAK1HDAC3HDAC2HDAC8

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 2 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

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 1/4885JAK1 1085/4885HDAC3 17/4885

“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.