SCHEMBL10179384

SCHEMBL10179384

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.55
EPAS1 Q99814 10/20 0.55
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCB1 P08183 2/20 0.47
CYP3A4 P08684 2/20 0.47
HTR2C P28335 2/20 0.47
MCHR1 Q99705 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CXCR4 P61073 1/20 0.44

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
SCHEMBL1442483 0.95 MAPT (0.58) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL10179606 0.94 SMN1; SMN2 (0.59) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL10179566 0.93 HIF1A (0.67) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL1441991 0.93 HIF1A (0.53) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL12811966 0.93 HIF1A (0.53) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL1442629 0.93 HIF1A (0.55) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL12812054 0.93 MAPT (0.51) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL10180943 0.93 MAPT (0.53) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL1442382 0.92 NPC1 (0.46) HIF1AEPAS1MAPTMAPK1SMN1; SMN2
SCHEMBL10179276 0.91 HIF1A (0.55) HIF1AEPAS1MAPTMAPK1SMN1; SMN2

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
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 HIF1A 2989/4885EPAS1 1421/4885MAPT 1296/4885

“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.