SCHEMBL4008230

SCHEMBL4008230

Nc1nonc1-c1nc2cnc(Oc3ccc(F)cc3)cc2n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.63
RPS6KA5 O75582 3/20 0.56
RPS6KB1 P23443 6/20 0.55
GSK3B P49841 2/20 0.55
PRKACA P17612 1/20 0.55
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4000688 0.92 ROCK1 (0.65) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL3997136 0.91 ROCK1 (0.54) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
Hydrochloric Acid SCHEMBL4716613 0.90 ROCK1 (0.59) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL3999484 0.89 RPS6KA5 (0.59) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL4000422 0.86 ROCK1 (0.70) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL4718662 0.85 ROCK1 (0.53) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL4001844 0.85 ROCK1 (0.53) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL4000466 0.85 ROCK1 (0.50) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
SCHEMBL4001614 0.84 ROCK1 (0.54) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA
Hydrochloric Acid SCHEMBL4715344 0.84 ROCK1 (0.52) ROCK1RPS6KA5RPS6KB1GSK3BPRKACA

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 2/4885RPS6KA5 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.