SCHEMBL781898

SCHEMBL781898

CC(C)(C)OC(=O)n1cc(-c2ccc3nc(NCc4ccccc4)cnc3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.47
AURKB Q96GD4 5/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
ACHE P22303 1/20 0.45
NTRK1 P04629 2/20 0.42
YES1 P07947 2/20 0.42
PIM1 P11309 1/20 0.42
SCD O00767 1/20 0.41
PIK3CA P42336 1/20 0.39
GSK3B P49841 4/20 0.39
DYRK1A Q13627 4/20 0.39
WNT1 P04628 3/20 0.39
ROCK2 O75116 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ABL1 P00519 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
SCHEMBL780264 0.91 SCD (0.39) MAPK1AURKBPDGFRBPDGFRAACHE
SCHEMBL16161585 0.86 MAPK1 (0.48) MAPK1AURKBPDGFRBPDGFRANTRK1
SCHEMBL781950 0.83 SCD (0.40) MAPK1AURKBNTRK1YES1SCD
SCHEMBL781058 0.81 PIK3CA (0.44) MAPK1AURKBNTRK1YES1PIM1
SCHEMBL27868810 0.77 PDGFRB (0.49) MAPK1AURKBPDGFRBPDGFRANTRK1
SCHEMBL780128 0.76 PFKFB3 (0.38) MAPK1SCDROCK2TNF
SCHEMBL781210 0.75 FGFR4 (0.44) GSK3BROCK2CYP3A4CYP2D6MST1R
Tert-Butyl Formate SCHEMBL27868806 0.74 PDGFRB (0.47) MAPK1AURKBPDGFRBPDGFRAACHE
Tert-Butyl Formate SCHEMBL27868805 0.74 PDGFRB (0.48) MAPK1PDGFRBPDGFRAPIK3CAROCK2
SCHEMBL25445548 0.73 ROCK2 (0.56) SCDROCK2

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 10 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-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 MAPK1 64/4885AURKB 305/4885PDGFRB 1860/4885

“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.