SCHEMBL1444063

SCHEMBL1444063

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.55
▸ IKBKE Q14164 1/20 0.52
▸ KDR P35968 8/20 0.49
▸ MTOR P42345 3/20 0.48
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ PDGFRB P09619 5/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ TEK Q02763 2/20 0.47
▸ RIPK1 Q13546 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ AKT3 Q9Y243 1/20 0.47
▸ EPHB4 P54760 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
SCHEMBL1442865 0.91 MCHR1 (0.54) MTORPIK3CAPIK3CGEPHX2MCHR1
SCHEMBL1443009 0.87 IDH2 (0.52) BRAFKDRMTORPIK3CAPIK3CG
SCHEMBL1442698 0.87 MTOR (0.56) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL12812449 0.81 BRAF (0.61) BRAF
SCHEMBL14783088 0.81 EPHX2 (0.57) BRAFMTOREPHX2MCHR1MAPT
SCHEMBL29590262 0.81 EPHX2 (0.57) BRAFMTOREPHX2MCHR1MAPT
SCHEMBL15688979 0.81 MAPT (0.56) MTORPIK3CAPIK3CGEPHX2MCHR1
SCHEMBL1443411 0.81 DGAT1 (0.56) MTORPIK3CAPIK3CGMCHR1DGAT1
SCHEMBL13276289 0.80 MTOR (0.60) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL15141301 0.80 MCHR1 (0.58) BRAFKDREPHX2MCHR1MAPT

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
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

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 BRAF 22/4885IKBKE 356/4885KDR 641/4885

“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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