SCHEMBL5039414

SCHEMBL5039414

NC(=O)c1ccc(Nc2ncc(Br)c(OCc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ AURKB Q96GD4 2/20 0.53
▸ GSK3B P49841 1/20 0.52
▸ MAPK8 P45983 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CDK2 P24941 3/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ KDR P35968 1/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ PPIA P62937 1/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ IGF1R P08069 2/20 0.45
▸ JAK3 P52333 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL5046278 0.88 CDK19 (0.53) GSK3BMAPK8PPIAIGF1RSIRT2
SCHEMBL15584703 0.87 AURKA (0.53) AURKAJAK2AURKBMAPK8MAPK10
SCHEMBL6024058 0.84 AURKA (0.50) AURKAJAK2AURKBMAPK8MAPK10
SCHEMBL26506586 0.77 ULK1 (0.56) AURKAJAK2AURKBGSK3BMAPK8
SCHEMBL23164077 0.73 PARP10 (0.49) AURKAJAK2AURKBPARP10PPIA
SCHEMBL14311620 0.73 SYK (0.50) AURKBCDK2CDK1KDRIGF1R
SCHEMBL5039537 0.73 EGFR (0.48) CDK2CDK1KDRPPIASIRT2
SCHEMBL26506662 0.72 GSK3B (0.58) AURKAJAK2AURKBGSK3BMAPK8
SCHEMBL13897428 0.71 CDK2 (0.61) AURKAJAK2CDK2CDK1KDR
SCHEMBL1634688 0.70 RXFP1 (0.45) AURKAJAK2AURKBGSK3BMAPK8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AURKA 492/4885JAK2 962/4885AURKB 110/4885

“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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