SCHEMBL1442411

SCHEMBL1442411

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)NC1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ PIK3CA P42336 10/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MTOR P42345 12/20 0.47
▸ PIK3CG P48736 8/20 0.47
▸ ATR Q13535 1/20 0.47
▸ GBA1 P04062 2/20 0.46
▸ RICTOR Q6R327 1/20 0.46
▸ MAPKAP1 Q9BPZ7 1/20 0.46
▸ MLST8 Q9BVC4 1/20 0.46
▸ PIK3CB P42338 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ GLA P06280 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
SCHEMBL12812066 0.90 ATM (0.46) GAAPIK3CAEPHX2MTORGBA1
SCHEMBL10178945 0.88 KDR (0.43) GAAPIK3CAPIK3CDEPHX2MTOR
SCHEMBL13276289 0.87 MTOR (0.60) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL1442429 0.87 GBA1 (0.61) PIK3CAPIK3CDMTORPIK3CGGBA1
SCHEMBL1443590 0.86 MAPK14 (0.50) PIK3CAPIK3CDMTORPIK3CGATR
SCHEMBL1442827 0.85 GBA1 (0.61) PIK3CAPIK3CDMTORPIK3CGGBA1
SCHEMBL1444071 0.85 PIK3CA (0.67) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL1442442 0.85 MTOR (0.53) PIK3CAPIK3CDMTORPIK3CGGBA1
SCHEMBL1442936 0.84 GBA1 (0.63) PIK3CAGBA1GLA
SCHEMBL12812451 0.83 GBA1 (0.48) GAAPIK3CAPIK3CDMTORPIK3CG

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
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-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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP 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 GAA 1274/4885PIK3CA 181/4885PIK3CD 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.

Send feedback