SCHEMBL4008601

SCHEMBL4008601

Nc1nonc1-c1nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc2n1-c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.81
AURKB Q96GD4 3/20 0.81
FLT3 P36888 2/20 0.81
CDC7 O00311 1/20 0.81
PLK4 O00444 1/20 0.81
AURKA O14965 1/20 0.81
DAPK3 O43293 1/20 0.81
ROCK2 O75116 1/20 0.81
RPS6KA5 O75582 1/20 0.81
PRKD3 O94806 1/20 0.81
PRKCG P05129 1/20 0.81
LCK P06239 1/20 0.81
PIM1 P11309 1/20 0.81
PRKACA P17612 1/20 0.81
RPS6KB1 P23443 1/20 0.81
CDK2 P24941 1/20 0.81
MARK3 P27448 1/20 0.81
AKT1 P31749 1/20 0.81
AKT2 P31751 1/20 0.81
FLT4 P35916 1/20 0.81

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
SCHEMBL4003559 0.91 ROCK1 (0.73) ROCK1AURKBFLT3CDC7PLK4
SCHEMBL3999581 0.90 ROCK1 (0.65) ROCK1AURKBFLT3CDC7PLK4
Gsk-269962A SCHEMBL29387396 0.89 ROCK1 (1.00) ROCK1AURKBFLT3CDC7PLK4
Gsk-269962A SCHEMBL1838346 0.89 ROCK1 (1.00) ROCK1AURKBFLT3CDC7PLK4
Gsk-269962A SCHEMBL29365470 0.89 ROCK1 (1.00) ROCK1AURKBFLT3CDC7PLK4
Gsk-269962A SCHEMBL29715551 0.89 ROCK1 (0.99) ROCK1AURKBFLT3CDC7PLK4
SCHEMBL4004630 0.88 ROCK1 (0.85) ROCK1AURKBFLT3CDC7PLK4
SCHEMBL4008181 0.86 ROCK1 (0.72) ROCK1AURKBFLT3CDC7PLK4
SCHEMBL4001805 0.86 ROCK1 (0.72) ROCK1AURKBFLT3CDC7PLK4
SCHEMBL4004888 0.85 ROCK1 (0.66) ROCK1AURKBFLT3CDC7PLK4

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
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US 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 2/4885AURKB 101/4885FLT3 1203/4885

“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.