SCHEMBL1442865

SCHEMBL1442865

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.54
▸ MAPT P10636 1/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ EPHX2 P34913 7/20 0.50
▸ FPR1 P21462 2/20 0.48
▸ FPR2 P25090 2/20 0.48
▸ PIK3CA P42336 5/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ MTOR P42345 5/20 0.48
▸ PIK3CG P48736 4/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ SOAT1 P35610 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 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
SCHEMBL1443009 0.92 IDH2 (0.52) MCHR1EPHX2PIK3CAMTORPIK3CG
SCHEMBL1444063 0.91 BRAF (0.55) MCHR1MAPTSTAT3SMN1; SMN2EPHX2
SCHEMBL1443411 0.89 DGAT1 (0.56) MCHR1MAPTSTAT3SMN1; SMN2PIK3CA
SCHEMBL15688979 0.89 MAPT (0.56) MCHR1MAPTSTAT3SMN1; SMN2EPHX2
SCHEMBL15141301 0.88 MCHR1 (0.58) MCHR1MAPTSTAT3SMN1; SMN2EPHX2
SCHEMBL13276289 0.86 MTOR (0.60) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL12812449 0.86 BRAF (0.61) —
SCHEMBL14783408 0.85 EPHX2 (0.58) MCHR1MAPTSTAT3SMN1; SMN2EPHX2
SCHEMBL1444071 0.84 PIK3CA (0.67) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL1442698 0.84 MTOR (0.56) PIK3CAPIK3CDMTORPIK3CGPIK3CB

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 8 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
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-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 MCHR1 3436/4885MAPT 1296/4885STAT3 2646/4885

“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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