SCHEMBL4763735

SCHEMBL4763735

Nc1nonc1-c1nc2cnccc2n1-c1ccc(OCC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 15/20 0.67
DYRK1A Q13627 2/20 0.53
RPS6KB1 P23443 4/20 0.52
ROCK1 Q13464 3/20 0.52
CDK2 P24941 1/20 0.52
RPS6KA1 Q15418 1/20 0.52
GSK3B P49841 2/20 0.50
PRKACA P17612 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL4714865 0.92 RPS6KA5 (0.66) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4717291 0.90 RPS6KA5 (0.62) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4717333 0.89 RPS6KA5 (0.61) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
Trifluoroacetic Acid SCHEMBL4717302 0.89 RPS6KA5 (0.60) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL6648964 0.87 RPS6KA5 (0.72) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4714595 0.86 RPS6KA5 (0.68) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL5468933 0.86 RPS6KA5 (0.59) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4720804 0.85 RPS6KA5 (0.67) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4714498 0.85 RPS6KA5 (0.72) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4717387 0.85 RPS6KA5 (0.66) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689393-A4 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-12-17 EP claimed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US claimed
JP-2007507547-A 2007-03-29 JP claimed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 EP claimed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO 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-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA RPS6KA5 117/4885DYRK1A 470/4885RPS6KB1 93/4885

“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.