SCHEMBL10179811

SCHEMBL10179811

CS(=O)(=O)N1CCN(c2cnc3ccc(-c4ccc(O)cc4)cc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.44
MTOR P42345 4/20 0.44
PIK3CG P48736 4/20 0.44
HCAR2 Q8TDS4 2/20 0.44
MET P08581 1/20 0.43
PIK3CA P42336 5/20 0.42
PIK3CD O00329 3/20 0.42
LRRK2 Q5S007 5/20 0.42
HRH4 Q9H3N8 3/20 0.41
HTR3A P46098 1/20 0.41
PRKDC P78527 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL1441977 0.88 PIK3CB (0.42) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL1442666 0.84 HRH4 (0.59) HCAR2METHRH4HTR3A
SCHEMBL1443390 0.82 PIK3CA (0.47) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL10187736 0.82 PIK3CB (0.55) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL1444121 0.81 PIK3CA (0.48) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL3073238 0.81 PIK3CB (0.44) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL13967414 0.81 PIK3CA (0.61) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL13276461 0.80 HCAR2 (0.43) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL12812474 0.80 HRH4 (0.54) HCAR2METHRH4HTR3A
SCHEMBL3092721 0.80 PIK3CB (0.45) PIK3CBMTORPIK3CGPIK3CAPIK3CD

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 11 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 EP 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
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 PIK3CB 404/4885MTOR 86/4885PIK3CG 412/4885

“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.