SCHEMBL10180949

SCHEMBL10180949

O=C(Cc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5ccccc5)CC4)nc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
BCHE P06276 3/20 0.53
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
WNT3A P56704 3/20 0.48
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
SLC2A1 P11166 1/20 0.46
ATM Q13315 1/20 0.45
FAAH O00519 1/20 0.45
HTR2C P28335 1/20 0.44
MCHR1 Q99705 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
SCHEMBL1442819 0.96 NPC1 (0.53) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL12812501 0.95 NPC1 (0.52) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL12812507 0.95 NPC1 (0.52) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL12811998 0.94 NPC1 (0.51) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL1442810 0.93 HTR1A (0.51) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL12811812 0.93 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13276421 0.93 NPC1 (0.49) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL12812513 0.92 NPC1 (0.48) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL12811816 0.92 BCHE (0.50) NPC1RAB9ABCHEHTTSMN1; SMN2
SCHEMBL10179675 0.92 HTR1A (0.52) NPC1RAB9ABCHEHTTSMN1; 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 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
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-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 1365/4885BCHE 2282/4885

“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.