SCHEMBL700954

SCHEMBL700954

O=C(NO)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.54
IGF1R P08069 3/20 0.54
MAPK8 P45983 4/20 0.51
MAPK9 P45984 3/20 0.51
IRAK4 Q9NWZ3 3/20 0.51
HDAC1 Q13547 1/20 0.49
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
MAPK10 P53779 2/20 0.47
JUN P05412 1/20 0.47
DYRK1A Q13627 1/20 0.47
PKM P14618 4/20 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
SCHEMBL699158 0.87 HDAC1 (0.64) CDK2IGF1RMAPK8MAPK9IRAK4
SCHEMBL13985107 0.83 PKM (0.63) IRAK4PKM
SCHEMBL702195 0.82 CDK2 (0.62) CDK2MAPK8MAPK9IRAK4HDAC1
SCHEMBL699645 0.82 CDK2 (0.67) CDK2IGF1RMAPK8MAPK9IRAK4
SCHEMBL700180 0.81 CDK2 (0.49) CDK2IGF1RIRAK4HDAC1CDK4
SCHEMBL699041 0.79 CDK2 (0.68) CDK2IGF1RMAPK8MAPK9IRAK4
SCHEMBL13984955 0.78 PKM (0.41) HDAC1PKM
SCHEMBL13984956 0.77 PKM (0.41) IRAK4PKM
SCHEMBL13985023 0.77 PKM (0.41) CDK2IGF1RHDAC1PKM
SCHEMBL12790876 0.77 PKM (0.60) IRAK4PKM

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 CDK2 16/4885IGF1R 1719/4885MAPK8 550/4885

“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.