SCHEMBL780371

SCHEMBL780371

Cc1cccc(CNc2cnc3cc(-c4cn[nH]c4)ccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.51
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP1A2 P05177 11/20 0.45
CYP3A4 P08684 10/20 0.45
CYP2C19 P33261 10/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 8/20 0.45
CYP2D6 P10635 8/20 0.45
HSD17B10 Q99714 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
TDP1 Q9NUW8 5/20 0.45
MAPK1 P28482 5/20 0.45
USP2 O75604 5/20 0.45
HIF1A Q16665 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL782581 0.88 PDGFRB (0.46) ROCK2PDGFRBPDGFRAALDH1A1HPGD
SCHEMBL780356 0.88 PDGFRB (0.56) ROCK2PDGFRBPDGFRAALDH1A1HPGD
SCHEMBL781911 0.88 ROCK2 (0.56) ROCK2PDGFRBPDGFRAPRKACAPRKACG
SCHEMBL782152 0.87 ROCK2 (0.55) ROCK2PDGFRBPDGFRACLK4
SCHEMBL781920 0.87 ROCK2 (0.43) ROCK2PDGFRBPDGFRAPRKACAPRKACG
SCHEMBL780558 0.87 ROCK2 (0.51) ROCK2PDGFRBPDGFRAPRKACAPRKACG
Hydrochloric Acid SCHEMBL16161764 0.86 ROCK2 (0.54) ROCK2PDGFRBPDGFRACLK4
SCHEMBL781535 0.84 TPH1 (0.44) ROCK2PDGFRBPDGFRACLK4PRKACA
SCHEMBL781892 0.84 CLK4 (0.48) PDGFRBPDGFRACYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL16161703 0.83 CLK4 (0.48) PDGFRBPDGFRACYP1A2CYP3A4CYP2C19

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 22 patents — showing the first 20. 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
CN-102459234-B Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD. (GB) 2014-10-15 CN 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
CN-102459234-B Substituted benzotriazines and quinoxalines as P70S6 kinase inhibitors SENTINEL ONCOLOGY LTD. (GB) 2014-10-15 CN 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 ROCK2 374/4885PDGFRB 1994/4885PDGFRA 1901/4885
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 ROCK2 733/4885PDGFRB 1860/4885PDGFRA 1632/4885
US-10144726-B2 Modulators of the p70S6 kinase for use in the treatment of brain disorders and triple-negative breast cancer RPS6KA1, RPS6KA3, MTOR ROCK2 374/4885PDGFRB 1994/4885PDGFRA 1901/4885

“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.