SCHEMBL781792

SCHEMBL781792

c1cc(CNc2cnc3cc(-c4cn[nH]c4)ccc3n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ROCK2 O75116 2/20 0.41
PIK3CA P42336 2/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ALK Q9UM73 1/20 0.38
MAPK1 P28482 1/20 0.38
ACVR1 Q04771 1/20 0.38
DYRK1A Q13627 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
RET P07949 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCG P05129 1/20 0.37
LYN P07948 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
Hydrochloric Acid SCHEMBL16162188 0.99 MKNK2 (0.45) MKNK2MKNK1PDGFRBPDGFRAROCK2
SCHEMBL780356 0.89 PDGFRB (0.56) PDGFRBPDGFRAROCK2ALKMAPK1
SCHEMBL781892 0.88 CLK4 (0.48) PDGFRBPDGFRAMAPK1DYRK1ACLK4
SCHEMBL782379 0.87 ROCK2 (0.45) PDGFRBPDGFRAROCK2PIK3CAPIM1
SCHEMBL780323 0.87 AKT1 (0.45) PDGFRBPDGFRAROCK2CLK4MAP4K4
SCHEMBL782581 0.87 PDGFRB (0.46) PDGFRBPDGFRAROCK2PIK3CAPIM1
SCHEMBL782108 0.87 NPBWR1 (0.46) PDGFRBPDGFRAROCK2PIK3CADYRK1A
Hydrochloric Acid SCHEMBL16161703 0.87 CLK4 (0.48) PDGFRBPDGFRAMAPK1DYRK1ACLK4
Hydrochloric Acid SCHEMBL16161589 0.86 ROCK2 (0.44) PDGFRBPDGFRAROCK2PIK3CAPIM1
SCHEMBL782184 0.85 CLK4 (0.50) PDGFRBPDGFRAROCK2DYRK1ACLK4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US 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
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 (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 MKNK2 275/4885MKNK1 174/4885PDGFRB 1994/4885
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 MKNK2 151/4885MKNK1 170/4885PDGFRB 1860/4885
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer RPS6KA1, RPS6KA3, MTOR MKNK2 275/4885MKNK1 174/4885PDGFRB 1994/4885

“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.