SCHEMBL781749

SCHEMBL781749

CN(Cc1ccccc1)C(CO)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SIGMAR1 Q99720 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPBWR1 P48145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL19203450 0.73 ADRA2B (0.69) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL28307330 0.72 SIGMAR1 (0.48) KMT2AMEN1SIGMAR1TSHRALDH1A1
SCHEMBL1005591 0.71 SIGMAR1 (0.68) KMT2AMEN1SIGMAR1ALDH1A1POLB
Alcohol SCHEMBL9136417 0.71 SIGMAR1 (0.57) KMT2AMEN1SIGMAR1ALDH1A1POLB
SCHEMBL1005593 0.71 SIGMAR1 (0.68) KMT2AMEN1SIGMAR1ALDH1A1POLB
SCHEMBL1189292 0.71 SIGMAR1 (0.68) KMT2AMEN1SIGMAR1ALDH1A1POLB
SCHEMBL17559717 0.70 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17559594 0.70 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17559714 0.70 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL14017766 0.70 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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 2 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 disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US 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 ADRA2B 3367/4885ADRA2C 2987/4885SLC6A2 2645/4885

“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.