SCHEMBL10179681

SCHEMBL10179681

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
HTR1A P08908 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FAAH O00519 2/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 2/20 0.42
EPAS1 Q99814 2/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL10179627 0.91 FAAH (0.49) DRD2HTR1ANPC1RAB9AFAAH
SCHEMBL1442382 0.91 NPC1 (0.46) DRD2HTR1ANPC1RAB9AFAAH
SCHEMBL1442794 0.89 RAD52 (0.52) DRD2NPC1RAB9AFAAHMAPT
SCHEMBL13465491 0.87 KDM4E (0.53) DRD2HTR1ANPC1RAB9AFAAH
SCHEMBL1442655 0.87 DRD2 (0.48) DRD2HTR1ANPC1RAB9AFAAH
SCHEMBL1443207 0.86 CXCR4 (0.49) DRD2NPC1RAB9AMAPTMAPK1
SCHEMBL1442483 0.86 MAPT (0.58) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL1442810 0.86 HTR1A (0.51) DRD2HTR1ANPC1RAB9AMAPT
SCHEMBL1443280 0.86 DRD2 (0.51) DRD2HTR1ANPC1RAB9AFAAH
SCHEMBL1443399 0.86 NPC1 (0.46) DRD2HTR1ANPC1RAB9AFAAH

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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 EP 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 DRD2 3211/4885HTR1A 2805/4885NPC1 4167/4885

“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.