SCHEMBL1443009

SCHEMBL1443009

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 4/20 0.52
▸ RAF1 P04049 8/20 0.51
▸ BRAF P15056 8/20 0.51
▸ AKT1 P31749 1/20 0.50
▸ EPHX2 P34913 2/20 0.49
▸ MCHR1 Q99705 1/20 0.48
▸ TEK Q02763 2/20 0.48
▸ KDR P35968 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ PIK3CG P48736 1/20 0.48

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 0.92 MCHR1 (0.54) EPHX2MCHR1PIK3CAMTORPIK3CG
SCHEMBL15689339 0.90 RAF1 (0.52) IDH2RAF1BRAFAKT1EPHX2
SCHEMBL15141198 0.89 CDK8 (0.54) IDH2RAF1BRAFEPHX2MCHR1
SCHEMBL12812449 0.89 BRAF (0.61) RAF1BRAF
SCHEMBL1444063 0.87 BRAF (0.55) BRAFEPHX2MCHR1TEKKDR
SCHEMBL14783150 0.87 RAF1 (0.53) IDH2RAF1BRAFAKT1EPHX2
SCHEMBL29590867 0.87 RAF1 (0.53) IDH2RAF1BRAFAKT1EPHX2
SCHEMBL1442857 0.86 AKT1 (0.51) RAF1BRAFAKT1MCHR1
SCHEMBL15141095 0.86 EPHX2 (0.56) IDH2RAF1BRAFAKT1EPHX2
SCHEMBL12812455 0.86 MTOR (0.56) PIK3CAMTORPIK3CG

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 7 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

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 IDH2 897/4885RAF1 29/4885BRAF 22/4885

“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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