SCHEMBL4716932

SCHEMBL4716932

CCn1c(-c2nonc2N)nc2cncc(Sc3ccc(NC(C)=O)cc3)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.56
RPS6KA5 O75582 14/20 0.55
AKT1 P31749 7/20 0.54
AKT2 P31751 7/20 0.54
AKT3 Q9Y243 7/20 0.54
DYRK1A Q13627 3/20 0.49
RPS6KA1 Q15418 3/20 0.49
ROCK2 O75116 2/20 0.49
GSK3A P49840 2/20 0.49
CDK2 P24941 2/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
PIM1 P11309 1/20 0.49
PRKACA P17612 1/20 0.49
MARK3 P27448 1/20 0.49
GRK5 P34947 1/20 0.49
CDK8 P49336 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3B P49841 1/20 0.49
CDK7 P50613 1/20 0.49

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
SCHEMBL4760149 0.84 RPS6KA5 (0.64) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL4717393 0.82 RPS6KA5 (0.60) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL4720973 0.82 ROCK1 (0.54) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL4008954 0.81 ROCK1 (0.71) ROCK1RPS6KA5DYRK1ARPS6KA1CDK2
SCHEMBL8289818 0.77 RPS6KA5 (0.40) ROCK1RPS6KA5GSK3BRPS6KB1
SCHEMBL4716528 0.77 RPS6KA5 (0.69) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL17595570 0.77 RPS6KA5 (0.71) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL5457890 0.76 RPS6KA5 (0.56) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL4762207 0.75 RPS6KA5 (0.60) ROCK1RPS6KA5AKT1AKT2AKT3
SCHEMBL4715073 0.74 RPS6KA5 (0.71) ROCK1RPS6KA5AKT1AKT2AKT3

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-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
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US 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-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA ROCK1 4/4885RPS6KA5 117/4885AKT1 29/4885

“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.