SCHEMBL13276366

SCHEMBL13276366

Clc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.64
PTPN11 Q06124 1/20 0.53
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
PRKDC P78527 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL12812404 0.88 PTPN11 (0.54) CNR2PTPN11PIK3CANPC1MAPT
SCHEMBL1441914 0.87 CNR2 (0.67) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL12812382 0.87 CNR2 (0.54) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL1442451 0.86 CNR2 (0.52) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL1442756 0.86 MAPT (0.51) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL1442428 0.86 ALDH1A1 (0.58) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL12812417 0.85 CNR2 (0.52) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL3091537 0.85 PIK3CA (0.55) CNR2PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1442375 0.84 CNR2 (0.66) CNR2PTPN11PIK3CDPIK3CAPIK3CB
SCHEMBL12811779 0.84 PTPN11 (0.44) CNR2PTPN11PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US claimed
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 CN claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 CNR2 3221/4885PTPN11 93/4885PIK3CD 370/4885

“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.