SCHEMBL4000466

SCHEMBL4000466

Nc1nonc1-c1nc2cnc(Oc3ccc(F)cc3)cc2n1-c1ccc(O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.50
RPS6KB1 P23443 4/20 0.42
RPS6KA5 O75582 5/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRKACA P17612 2/20 0.38
GSK3B P49841 2/20 0.38
SCN9A Q15858 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38

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
SCHEMBL3997136 0.89 ROCK1 (0.54) ROCK1RPS6KB1RPS6KA5PRKACAGSK3B
SCHEMBL4008230 0.85 ROCK1 (0.63) ROCK1RPS6KB1RPS6KA5TSHRHTT
Hydrochloric Acid SCHEMBL4716613 0.84 ROCK1 (0.59) ROCK1RPS6KB1RPS6KA5TSHRKMT2A
SCHEMBL4000792 0.84 ROCK1 (0.48) ROCK1RPS6KB1RPS6KA5TSHRHTT
SCHEMBL3999484 0.83 RPS6KA5 (0.59) ROCK1RPS6KB1RPS6KA5TSHRHTT
SCHEMBL4007819 0.82 ROCK1 (0.49) ROCK1RPS6KB1RPS6KA5PRKACAGSK3B
SCHEMBL4001844 0.80 ROCK1 (0.53) ROCK1RPS6KB1RPS6KA5PRKACAGSK3B
SCHEMBL4718662 0.80 ROCK1 (0.53) ROCK1RPS6KB1RPS6KA5PRKACAGSK3B
SCHEMBL3999888 0.80 ROCK1 (0.49) ROCK1RPS6KB1RPS6KA5PRKACAGSK3B
SCHEMBL4004106 0.80 ROCK1 (0.47) ROCK1RPS6KB1RPS6KA5PRKACAGSK3B

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 7 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
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 2/4885RPS6KB1 97/4885RPS6KA5 99/4885

“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.