SCHEMBL780960

SCHEMBL780960

Fc1ccc(CNc2cnc3cc(-c4cn[nH]c4)ccc3n2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
PIK3CA P42336 2/20 0.40
DYRK1A Q13627 1/20 0.40
AKT1 P31749 1/20 0.39
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 2/20 0.38
SCD O00767 1/20 0.38
RPS6KB1 P23443 1/20 0.37
GRK2 P25098 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NPBWR1 P48145 1/20 0.36
MET P08581 1/20 0.36
VNN1 O95497 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAP2K7 O14733 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
SCHEMBL781794 0.90 GRIN1 (0.44) GRIN1GRIN2BPIK3CADYRK1AAKT1
SCHEMBL782068 0.89 ROCK2 (0.48) DYRK1AROCK2ROCK1RPS6KB1GRK2
SCHEMBL782108 0.86 NPBWR1 (0.46) PIK3CADYRK1AROCK2NPBWR1PDGFRB
SCHEMBL782379 0.84 ROCK2 (0.45) PIK3CAROCK2ROCK1RPS6KB1GRK2
Hydrochloric Acid SCHEMBL16161589 0.83 ROCK2 (0.44) PIK3CADYRK1AROCK2ROCK1RPS6KB1
SCHEMBL780323 0.82 AKT1 (0.45) AKT1ROCK2ROCK1PDGFRBPDGFRA
SCHEMBL782152 0.82 ROCK2 (0.55) ROCK2ROCK1RPS6KB1PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL16161764 0.81 ROCK2 (0.54) ROCK2ROCK1RPS6KB1PDGFRBPDGFRA
SCHEMBL781535 0.81 TPH1 (0.44) AKT1ROCK2ROCK1GRK2PIM1
SCHEMBL782581 0.80 PDGFRB (0.46) PIK3CADYRK1AROCK2PIM1PIM3

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 19 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 claimed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US claimed
CN-102459234-A Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD 2012-05-16 CN claimed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US claimed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO claimed
EP-3259265-B1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER SENTINEL ONCOLOGY LTD (GB) 2020-04-01 EP disclosed
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer SENTINEL ONCOLOGY LIMITED (GB) 2018-12-04 US disclosed
US-20180022735-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER SENTINEL ONCOLOGY LIMITED (GB) 2018-01-25 US disclosed
EP-3259265-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER Sentinel Oncology Limited (GB) 2017-12-27 EP disclosed
WO-2016131776-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER SENTINEL ONCOLOGY LIMITED (GB) 2016-08-25 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
CN-102459234-A Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD 2012-05-16 CN 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 (3 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-20180022735-A1 MODULATORS OF THE P70S6 KINASE FOR USE IN THE TREATMENT OF BRAIN DISORDERS AND TRIPLE-NEGATIVE BREAST CANCER RPS6KA1, RPS6KA3, MTOR GRIN1 520/4885GRIN2B 1019/4885PIK3CA 93/4885
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 GRIN1 2950/4885GRIN2B 3933/4885PIK3CA 194/4885
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer RPS6KA1, RPS6KA3, MTOR GRIN1 520/4885GRIN2B 1019/4885PIK3CA 93/4885

“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.