SCHEMBL780128

SCHEMBL780128

C[C@@H](Nc1cnc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc2n1)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.38
TTK P33981 1/20 0.38
TBK1 Q9UHD2 7/20 0.37
MAPK1 P28482 2/20 0.37
ROCK2 O75116 1/20 0.36
TNF P01375 1/20 0.36
SCN9A Q15858 2/20 0.36
SCD O00767 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
SCHEMBL781950 0.91 SCD (0.40) PFKFB3TBK1MAPK1ROCK2TNF
SCHEMBL781210 0.89 FGFR4 (0.44) PFKFB3ROCK2
SCHEMBL781221 0.85 GSK3B (0.41) PFKFB3TBK1MAPK1ROCK2
SCHEMBL16162183 0.85 GSK3B (0.41) PFKFB3TBK1MAPK1ROCK2
SCHEMBL780264 0.83 SCD (0.39) TTKMAPK1ROCK2SCD
Tert-Butyl Formate SCHEMBL27851836 0.77 MAPK1 (0.35) PFKFB3MAPK1TNF
Tert-Butyl Formate SCHEMBL27851834 0.77 ROCK2 (0.43) PFKFB3TBK1ROCK2
SCHEMBL781898 0.76 MAPK1 (0.47) MAPK1ROCK2TNFSCD
SCHEMBL23804708 0.76 SCD (0.49) ROCK2SCN9ASCD
SCHEMBL782846 0.75 ROCK2 (0.48) PFKFB3ROCK2

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
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

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 479/4885TTK 32/4885TBK1 1396/4885

“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.