SCHEMBL781665

SCHEMBL781665

CN(C)CCOc1cccc(CN)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.70
NFE2L2 Q16236 1/20 0.70
CHRNB2 P17787 3/20 0.61
CHRNA4 P43681 3/20 0.61
LTA4H P09960 2/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ESR1 P03372 1/20 0.48
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL108446 0.92 KEAP1 (0.58) KEAP1NFE2L2CHRNB2CHRNA4KDM4E
SCHEMBL26995599 0.87 TAAR1 (0.58) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
SCHEMBL11956181 0.85 CHRNB2 (0.63) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
SCHEMBL2430343 0.84 KDM4E (0.60) KEAP1NFE2L2LTA4HKDM4EESR1
SCHEMBL185250 0.83 CHRNB2 (0.66) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL20497359 0.83 KEAP1 (0.65) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
SCHEMBL110426 0.82 KEAP1 (1.00) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
SCHEMBL11245203 0.82 LTA4H (0.59) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
SCHEMBL10948840 0.81 CHRNB2 (0.63) KEAP1NFE2L2CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL5803566 0.81 KEAP1 (0.96) KEAP1NFE2L2CHRNB2CHRNA4LTA4H

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
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
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
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 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 (2 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 KEAP1 363/4885NFE2L2 527/4885CHRNB2 2888/4885
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA KEAP1 1500/4885NFE2L2 4139/4885CHRNB2 1956/4885

“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.