SCHEMBL781950

SCHEMBL781950

C[C@@H](Nc1cnc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc2n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
MAPK1 P28482 3/20 0.39
AURKB Q96GD4 3/20 0.39
TBK1 Q9UHD2 9/20 0.39
TNF P01375 2/20 0.39
ROCK2 O75116 1/20 0.39
PFKFB3 Q16875 2/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
YES1 P07947 1/20 0.38

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
SCHEMBL780128 0.91 PFKFB3 (0.38) SCDMAPK1TBK1TNFROCK2
SCHEMBL781210 0.90 FGFR4 (0.44) ROCK2PFKFB3GSK3B
SCHEMBL16162183 0.86 GSK3B (0.41) MAPK1AURKBTBK1ROCK2PFKFB3
SCHEMBL781221 0.86 GSK3B (0.41) MAPK1AURKBTBK1ROCK2PFKFB3
SCHEMBL781898 0.83 MAPK1 (0.47) SCDMAPK1AURKBTNFROCK2
SCHEMBL27868808 0.77 PFKFB3 (0.47) MAPK1TNFPFKFB3LDHALDHB
SCHEMBL780264 0.76 SCD (0.39) SCDMAPK1AURKBROCK2
Tert-Butyl Formate SCHEMBL28794445 0.75 MAPK14 (0.36) TNFLDHALDHB
SCHEMBL781058 0.75 PIK3CA (0.44) SCDMAPK1AURKBROCK2GSK3B
Tert-Butyl Formate SCHEMBL28794442 0.75 LATS1 (0.41) TBK1TNFROCK2LDHALDHB

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 SCD 4744/4885MAPK1 64/4885AURKB 305/4885

“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.