SCHEMBL781815

SCHEMBL781815

CN1CCN(c2cccc(CNc3cnc4cc(-c5cn[nH]c5)ccc4n3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.42
ROCK2 O75116 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 2/20 0.41
HRH1 P35367 1/20 0.41
MET P08581 3/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
AURKA O14965 1/20 0.40
AGXT P21549 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
RPS6KA3 P51812 1/20 0.39

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 SCHEMBL16161637 0.99 ROCK1 (0.41) ROCK1ROCK2HRH4MAP4K4NTRK1
SCHEMBL782143 0.90 MAP4K4 (0.42) ROCK1ROCK2MAP4K4PDGFRBPDGFRA
SCHEMBL780895 0.90 RPS6KA3 (0.45) HRH4HRH1WNT1GSK3BDYRK1A
SCHEMBL782867 0.89 SYK (0.44) ROCK1ROCK2MAP4K4NTRK1MET
Hydrochloric Acid SCHEMBL16161694 0.89 SYK (0.44) ROCK1ROCK2MAP4K4NTRK1MET
SCHEMBL782514 0.82 ROCK2 (0.40) ROCK1ROCK2AGXTWNT1GSK3B
SCHEMBL13050392 0.82 NTRK1 (0.47) HRH4MAP4K4NTRK1METNTRK3
SCHEMBL782040 0.82 HRH4 (0.46) HRH4MAP4K4NTRK1METNTRK3
SCHEMBL780371 0.82 ROCK2 (0.51) ROCK2PDGFRBPDGFRA
SCHEMBL780503 0.81 PFKFB3 (0.43) ROCK1ROCK2HRH4WNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 ROCK1 699/4885ROCK2 733/4885HRH4 1347/4885

“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.