SCHEMBL782012

SCHEMBL782012

COc1cccc([C@@H](C)Nc2cnc3cc(Br)ccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 11/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
KRAS P01116 1/20 0.44
SOS1 Q07889 1/20 0.44
RPS6KB1 P23443 1/20 0.42
PLK1 P53350 1/20 0.41
PRKACA P17612 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
PRKCQ Q04759 1/20 0.41
MST1R Q04912 1/20 0.41
ROCK1 Q13464 1/20 0.41
CASR P41180 2/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL18171887 0.84 NUDT1 (0.47) PFKFB3PDGFRBPDGFRAPLK1
SCHEMBL27851794 0.84 NUDT1 (0.47) PFKFB3PDGFRBPDGFRAPLK1
SCHEMBL780421 0.84 NUDT1 (0.47) PFKFB3PDGFRBPDGFRAPLK1
SCHEMBL782196 0.84 PFKFB3 (0.41) PFKFB3PDGFRBPDGFRAKRASSOS1
SCHEMBL27851800 0.84 TNF (0.42) PFKFB3KRASSOS1RPS6KB1PLK1
SCHEMBL27868798 0.84 PFKFB3 (0.41) PFKFB3PDGFRBPDGFRAKRASSOS1
SCHEMBL780985 0.84 TNF (0.42) PFKFB3KRASSOS1RPS6KB1PLK1
SCHEMBL780204 0.81 GRK2 (0.55) PFKFB3KRASSOS1ROCK1
Hydrochloric Acid SCHEMBL781109 0.80 GRK2 (0.54) PFKFB3KRASSOS1ROCK1
Hydrochloric Acid SCHEMBL16162197 0.80 GRK2 (0.54) PFKFB3KRASSOS1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO 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-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
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 PFKFB3 479/4885PDGFRB 1860/4885PDGFRA 1632/4885

“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.