SCHEMBL5039537

SCHEMBL5039537

N#Cc1cnc(Nc2cccc(C(N)=O)c2)nc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ SYK P43405 2/20 0.47
▸ PPIA P62937 1/20 0.46
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ ADORA1 P30542 1/20 0.44
▸ KDR P35968 3/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ NEK2 P51955 1/20 0.43
▸ CDK19 Q9BWU1 1/20 0.42
▸ ALK Q9UM73 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
SCHEMBL6024058 0.89 AURKA (0.50) PPIAKDRCDK1CDK2
SCHEMBL5046278 0.85 CDK19 (0.53) SYKPPIASIRT2SIRT1SIRT3
SCHEMBL5039422 0.77 PPIA (0.53) SYKPPIA
SCHEMBL13925826 0.77 PPIA (0.41) EGFRERBB2SYKPPIASIRT2
SCHEMBL13763843 0.77 GSK3A (0.47) EGFRERBB2SYKPPIA
SCHEMBL15584703 0.73 AURKA (0.53) SYKPPIASIRT2CDK1CDK2
SCHEMBL5039414 0.73 AURKA (0.53) PPIASIRT2KDRCDK1CDK2
SCHEMBL6033968 0.72 KDR (0.71) SYKKDRCDK1
SCHEMBL5546967 0.71 XDH (0.52) CDK2
SCHEMBL6033889 0.70 KDR (0.68) EGFRERBB2SYKKDRCDK1

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
EP-1442024-B1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3$g(b) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 — — EP claimed
US-20060063789-A1 Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 — — US claimed
EP-1442024-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3$g(b) INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-04 — — EP claimed
WO-2003037877-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3β INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 — — WO claimed
EP-1442024-B1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3$g(b) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 — — EP disclosed
US-20060063789-A1 Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 — — US disclosed
EP-1442024-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3$g(b) INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-04 — — EP disclosed
WO-2003037877-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3β INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 — — 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-20060063789-A1 Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors GSK3B, GSK3A, PHKG1 EGFR 1235/4885ERBB2 523/4885SYK 1427/4885

“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.

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