SCHEMBL12812488

SCHEMBL12812488

COCC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 2/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MOK Q9UQ07 1/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HIF1A Q16665 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
SCHEMBL1443399 0.92 NPC1 (0.46) ABCB1CYP3A4NPC1RAB9AMOK
SCHEMBL12811813 0.90 RAB9A (0.45) ABCB1CYP3A4NPC1RAB9ACASP1
SCHEMBL1443280 0.90 DRD2 (0.51) NPC1RAB9ACASP1CASP4CASP5
SCHEMBL1441768 0.90 NPC1 (0.46) ABCB1CYP3A4NPC1RAB9ACASP1
SCHEMBL13465491 0.89 KDM4E (0.53) ABCB1CYP3A4NPC1RAB9ACASP1
SCHEMBL1442455 0.89 NPC1 (0.43) ABCB1CYP3A4NPC1RAB9ACASP1
SCHEMBL1443107 0.89 CHRNA7 (0.45) NPC1RAB9AMCHR1CASP1CASP4
SCHEMBL1442810 0.89 HTR1A (0.51) NPC1RAB9ACASP1CASP4CASP5
SCHEMBL1442728 0.89 NPC1 (0.45) NPC1RAB9ACASP1CASP4CASP5
SCHEMBL12812050 0.88 MAPT (0.48) ABCB1CYP3A4MCHR1MAPTMAPK1

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
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
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 MKNK2 114/4885ABCB1 1227/4885CYP3A4 1813/4885

“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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