SCHEMBL4720745

SCHEMBL4720745

CCn1c(-c2nonc2N)nc2cncc(Br)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 19/20 1.00
ROCK1 Q13464 10/20 0.61
RPS6KB1 P23443 3/20 0.61
DYRK1A Q13627 3/20 0.61
RPS6KA1 Q15418 3/20 0.61
CDK2 P24941 2/20 0.61
AKT1 P31749 8/20 0.59
AKT2 P31751 8/20 0.59
AKT3 Q9Y243 8/20 0.59
PRKACA P17612 2/20 0.55
GSK3B P49841 2/20 0.55
ROCK2 O75116 2/20 0.55
GSK3A P49840 2/20 0.55
DAPK3 O43293 1/20 0.55
PRKD3 O94806 1/20 0.55
PIM1 P11309 1/20 0.55
MARK3 P27448 1/20 0.55
GRK5 P34947 1/20 0.55
CDK8 P49336 1/20 0.55
CLK2 P49760 1/20 0.55

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
SCHEMBL14050028 0.87 RPS6KA5 (0.77) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4761218 0.85 RPS6KA5 (0.74) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL14252546 0.83 RPS6KA5 (0.71) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4717360 0.82 RPS6KA5 (0.69) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4715073 0.81 RPS6KA5 (0.71) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL17595570 0.81 RPS6KA5 (0.71) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4715015 0.80 RPS6KA5 (0.67) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4719616 0.80 RPS6KA5 (0.67) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4718805 0.80 RPS6KA5 (0.67) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1
SCHEMBL4761707 0.80 RPS6KA5 (0.69) RPS6KA5ROCK1RPS6KB1DYRK1ARPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016038143-A1 MICROBIOCIDAL 4-(IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3- AMINE COMPOUNDS HAVING AN OXIME GROUP IN POSITION 7 SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed
EP-1689393-A4 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
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-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO disclosed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (4 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 RPS6KA5 375/4885ROCK1 846/4885RPS6KB1 668/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 RPS6KA5 156/4885ROCK1 478/4885RPS6KB1 99/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA RPS6KA5 82/4885ROCK1 1167/4885RPS6KB1 199/4885
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA RPS6KA5 117/4885ROCK1 4/4885RPS6KB1 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.