SCHEMBL783346

SCHEMBL783346

C[C@@H](N)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.62
AGXT P21549 1/20 0.51
HTR3A P46098 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
PTK2B Q14289 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
HTR2C P28335 5/20 0.46
HTR6 P50406 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL28797389 1.00 ADRA2C (0.62) ADRA2CAGXTHTR3AKDM4EGAA
SCHEMBL6851591 1.00 ADRA2C (0.62) ADRA2CAGXTHTR3AKDM4EGAA
SCHEMBL11955062 0.86 ADRA2C (0.61) ADRA2CAGXTHTR3AKDM4EGAA
SCHEMBL8050667 0.82 CYP3A4 (0.50) AGXTKDM4EMAPTMAPK1HTT
SCHEMBL5654750 0.82 CYP3A4 (0.50) AGXTKDM4EMAPTMAPK1HTT
SCHEMBL23709488 0.81 ADRA2C (0.54) ADRA2CAGXTHTR3AKDM4EMAPK1
Hydrochloric Acid SCHEMBL6689154 0.81 CYP3A4 (0.49) AGXTKDM4EMAPTMAPK1HTT
Hydrochloric Acid SCHEMBL3975530 0.81 CYP3A4 (0.49) AGXTKDM4EMAPTMAPK1HTT
Hydrochloric Acid SCHEMBL6851464 0.81 CYP3A4 (0.49) AGXTKDM4EMAPTMAPK1HTT
SCHEMBL15969523 0.80 LMNA (0.50) GAAMAPTMAPK1RECQLHTR6

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 10 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
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
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 ADRA2C 2987/4885AGXT 3572/4885HTR3A 2572/4885

“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.