SCHEMBL699158

SCHEMBL699158

Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.64
CDK2 P24941 7/20 0.50
IGF1R P08069 3/20 0.50
MAPK8 P45983 4/20 0.45
MAPK9 P45984 3/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
HDAC2 Q92769 1/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
MAPK10 P53779 2/20 0.42
JUN P05412 1/20 0.42

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
SCHEMBL700954 0.87 CDK2 (0.54) HDAC1CDK2IGF1RMAPK8MAPK9
SCHEMBL699854 0.85 HDAC1 (0.65) HDAC1CDK2CDK1CDK4
SCHEMBL12790886 0.84 PKM (0.58) HDAC1HDAC2
SCHEMBL699310 0.83 HDAC1 (0.78) HDAC1CDK2IGF1RHDAC2CDK1
SCHEMBL701827 0.83 HDAC1 (0.51) HDAC1CDK2IGF1RMAPK8MAPK9
SCHEMBL12791204 0.81 HDAC1 (0.49) HDAC1HDAC2
SCHEMBL273614 0.81 CDK2 (0.53) CDK2MAPK8MAPK9CDK1CDK4
SCHEMBL699239 0.81 HDAC1 (0.69) HDAC1CDK2IGF1RHDAC2CDK1
SCHEMBL12790887 0.80 HDAC1 (0.45) HDAC1HDAC2
SCHEMBL12791297 0.80 HDAC1 (0.45) HDAC1HDAC2

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 1/4885CDK2 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.