SCHEMBL780967

SCHEMBL780967

[O-][n+]1nc(NCc2ccc(Cl)cc2)nc2ccc(-c3cn[nH]c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.44
AKT1 P31749 7/20 0.42
AKT2 P31751 5/20 0.37
ROCK1 Q13464 3/20 0.37
PRKACA P17612 2/20 0.36
AKT3 Q9Y243 2/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
LATS1 O95835 1/20 0.36
PRKACB P22694 1/20 0.36
RPS6KB1 P23443 1/20 0.36
GRK2 P25098 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKCD Q05655 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
SGK3 Q96BR1 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36

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
SCHEMBL780386 0.89 ROCK2 (0.50) ROCK2AKT1AKT2ROCK1PRKACA
SCHEMBL779756 0.89 ROCK2 (0.48) ROCK2AKT1ROCK1PRKACAPRKACB
SCHEMBL781886 0.81 ROCK2 (0.55) ROCK2AKT1ROCK1PRKACAPRKACB
SCHEMBL780323 0.74 AKT1 (0.45) ROCK2AKT1AKT2ROCK1
SCHEMBL5113806 0.74 PIM1 (0.41) ROCK2AKT1AKT2ROCK1
SCHEMBL18008931 0.72 LATS1 (0.44) ROCK2AKT2ROCK1LATS1RPS6KB1
SCHEMBL21812217 0.72 LATS1 (0.44) ROCK2AKT2ROCK1LATS1RPS6KB1
SCHEMBL781562 0.72 ROCK2 (0.49) ROCK2AKT1AKT2ROCK1PRKACA
SCHEMBL780434 0.68 RPS6KB1 (0.41) ROCK2ROCK1RPS6KB1GRK2
SCHEMBL800865 0.68 ROCK2 (0.48) ROCK2ROCK1GRK2

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
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 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 (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-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 ROCK2 733/4885AKT1 95/4885AKT2 134/4885

“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.