SCHEMBL1442382

SCHEMBL1442382

O=C(Nc1ccncc1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 3/20 0.46
EPAS1 Q99814 3/20 0.46
FAAH O00519 2/20 0.46
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
PIK3CA P42336 3/20 0.42
MTOR P42345 2/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CB P42338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCB1 P08183 2/20 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
SCHEMBL10179627 0.95 FAAH (0.49) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL10179384 0.92 HIF1A (0.55) NPC1RAB9AHIF1AEPAS1MAPT
SCHEMBL10179681 0.91 DRD2 (0.47) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL13465491 0.90 KDM4E (0.53) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL1443207 0.90 CXCR4 (0.49) NPC1RAB9AHIF1AEPAS1CASP1
SCHEMBL1443399 0.90 NPC1 (0.46) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL1441768 0.90 NPC1 (0.46) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL1443280 0.90 DRD2 (0.51) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL1442216 0.89 BCHE (0.44) NPC1RAB9AHIF1AEPAS1FAAH
SCHEMBL10179606 0.89 SMN1; SMN2 (0.59) NPC1RAB9AHIF1AEPAS1CASP1

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 9 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-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 NPC1 4167/4885RAB9A 1365/4885HIF1A 2989/4885

“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.