SCHEMBL782164

SCHEMBL782164

CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.43
PIK3CA P42336 2/20 0.38
SLC6A9 P48067 2/20 0.37
KCNH2 Q12809 2/20 0.37
GRM2 Q14416 1/20 0.36
ROCK2 O75116 1/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 2/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
FLT3 P36888 1/20 0.35
SCN9A Q15858 1/20 0.35
GRIN1 Q05586 1/20 0.34

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
SCHEMBL781058 0.85 PIK3CA (0.44) PIK3CAROCK2FGFR1FGFR2FGFR4
SCHEMBL782116 0.79 AOC3 (0.41) PIK3CAROCK2FGFR1FGFR2FGFR4
Tert-Butyl Formate SCHEMBL27868797 0.79 GRIN2B (0.38) GRIN2BPIK3CASLC6A9KCNH2GRM2
Tert-Butyl Formate SCHEMBL27868796 0.78 GRIN2B (0.39) GRIN2BPIK3CAROCK2GRIN1
SCHEMBL781484 0.77 GRIN2B (0.44) GRIN2BPIK3CAROCK2GRIN1
SCHEMBL13050381 0.74 GRIN2B (0.38) GRIN2BPIK3CASLC6A9KCNH2CYP3A4
SCHEMBL27868793 0.74 GRIN2B (0.37) GRIN2BPIK3CASLC6A9KCNH2GRM2
SCHEMBL780474 0.74 GRIN2B (0.38) GRIN2BPIK3CASLC6A9KCNH2CYP3A4
SCHEMBL31147953 0.71 ROCK2 (0.51) GRIN2BROCK2SCN9AGRIN1
SCHEMBL781898 0.69 MAPK1 (0.47) PIK3CAROCK2CYP3A4

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 8 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
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 GRIN2B 3933/4885PIK3CA 194/4885SLC6A9 4518/4885

“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.