SCHEMBL4004032

SCHEMBL4004032

CCC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3CC)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.86
RPS6KA5 O75582 11/20 0.60
RPS6KB1 P23443 3/20 0.60
CDK2 P24941 2/20 0.60
RPS6KA1 Q15418 2/20 0.60
PRKACA P17612 2/20 0.60
GSK3B P49841 2/20 0.60
CDC7 O00311 1/20 0.60
PLK4 O00444 1/20 0.60
AURKA O14965 1/20 0.60
DAPK3 O43293 1/20 0.60
ROCK2 O75116 1/20 0.60
PRKD3 O94806 1/20 0.60
PRKCG P05129 1/20 0.60
LCK P06239 1/20 0.60
PIM1 P11309 1/20 0.60
MARK3 P27448 1/20 0.60
AKT1 P31749 1/20 0.60
AKT2 P31751 1/20 0.60
FLT4 P35916 1/20 0.60

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
SCHEMBL4008585 0.92 ROCK1 (1.00) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL4008323 0.92 ROCK1 (0.87) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL4004823 0.91 ROCK1 (0.84) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL3996988 0.88 ROCK1 (0.76) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL4008180 0.87 ROCK1 (0.83) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL4004766 0.87 ROCK1 (1.00) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL4008062 0.86 ROCK1 (0.72) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL3997336 0.86 ROCK1 (0.71) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL4004385 0.86 ROCK1 (0.83) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1
SCHEMBL3997111 0.86 ROCK1 (0.84) ROCK1RPS6KA5RPS6KB1CDK2RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US claimed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP claimed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US claimed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP claimed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB ROCK1 2/4885RPS6KA5 99/4885RPS6KB1 97/4885

“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.