SCHEMBL1442232

SCHEMBL1442232

N#Cc1cccc(CN2CCN(c3cnc4ccc(-c5ccc(O)cc5)cc4n3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
RET P07949 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GPR6 P46095 2/20 0.41
FAAH O00519 1/20 0.41
CSF1R P07333 2/20 0.41
KIT P10721 2/20 0.41
DRD2 P14416 3/20 0.41
HTR1A P08908 1/20 0.41
BCL2A1 Q16548 1/20 0.40
DRD3 P35462 3/20 0.39
DRD4 P21917 2/20 0.39
DHFR P00374 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL1443526 0.89 NPC1 (0.50) NPC1RAB9ARETKDM4EALDH1A1
SCHEMBL1442613 0.89 NPC1 (0.47) NPC1RAB9AHCRTR1HCRTR2RET
SCHEMBL12812478 0.86 NPC1 (0.68) NPC1RAB9AHCRTR1HCRTR2RET
SCHEMBL12812430 0.85 NPC1 (0.53) NPC1RAB9AHCRTR1HCRTR2KDM4E
SCHEMBL1443737 0.85 DHFR (0.46) NPC1RAB9AHCRTR1HCRTR2KDM4E
SCHEMBL13276338 0.84 FAAH (0.51) NPC1RAB9AHCRTR1HCRTR2GPR6
SCHEMBL1443527 0.82 NPC1 (0.54) NPC1RAB9AHCRTR1HCRTR2RET
SCHEMBL12812477 0.82 NPC1 (0.63) NPC1RAB9AHCRTR1HCRTR2RET
SCHEMBL12812429 0.80 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL13276425 0.80 ROCK2 (0.44) NPC1RAB9AHCRTR1HCRTR2GPR6

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 10 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
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-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
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 1365/4885HCRTR1 3996/4885

“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.