SCHEMBL1442091

SCHEMBL1442091

CS(=O)(=O)Nc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ PIK3CG P48736 2/20 0.52
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ PRKDC P78527 1/20 0.52
▸ PIK3C3 Q8NEB9 1/20 0.52
▸ ATR Q13535 1/20 0.49
▸ ATRIP Q8WXE1 1/20 0.49
▸ ALOX5AP P20292 5/20 0.46
▸ FEN1 P39748 5/20 0.46
▸ MET P08581 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL1441751 0.90 PIK3CA (0.51) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL13276525 0.85 MTOR (0.48) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442444 0.84 PIK3CA (0.46) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442826 0.83 MTOR (0.58) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442189 0.83 CYP1A2 (0.63) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1543895 0.82 PIK3CA (0.75) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442428 0.81 ALDH1A1 (0.58) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442742 0.80 HSD17B10 (0.47) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL12811779 0.79 PTPN11 (0.44) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442756 0.79 MAPT (0.51) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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 MTOR 86/4885PIK3CA 181/4885PIK3CG 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.

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