SCHEMBL4719806

SCHEMBL4719806

COc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.74
ROCK1 Q13464 3/20 0.74
RPS6KA5 O75582 15/20 0.73
DYRK1A Q13627 2/20 0.58
CDK2 P24941 1/20 0.58
RPS6KA1 Q15418 1/20 0.58
GSK3B P49841 2/20 0.54
PRKACA P17612 1/20 0.54

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
SCHEMBL6648964 0.89 RPS6KA5 (0.72) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4714200 0.88 RPS6KB1 (0.77) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4718298 0.87 RPS6KA5 (0.82) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4717079 0.86 RPS6KA5 (0.68) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4714498 0.85 RPS6KA5 (0.72) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL14364625 0.85 RPS6KB1 (1.00) RPS6KB1ROCK1RPS6KA5GSK3BPRKACA
SCHEMBL4716326 0.85 RPS6KA5 (0.78) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4714283 0.85 RPS6KA5 (1.00) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4717387 0.85 RPS6KA5 (0.66) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2
SCHEMBL4716141 0.84 RPS6KA5 (0.73) RPS6KB1ROCK1RPS6KA5DYRK1ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 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 (2 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-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 RPS6KB1 668/4885ROCK1 846/4885RPS6KA5 375/4885
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA RPS6KB1 93/4885ROCK1 4/4885RPS6KA5 117/4885

“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.