SCHEMBL10179172

SCHEMBL10179172

Cc1cc(-c2ccc3ncc(N4CCN(Cc5ccccc5)CC4)nc3c2)cc(C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
RET P07949 3/20 0.44
NCF1 P14598 1/20 0.43
CASP1 P29466 1/20 0.43
CASP5 P51878 1/20 0.43
DPP4 P27487 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1443431 0.96 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1441771 0.91 NPC1 (0.52) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL10178977 0.90 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1442719 0.90 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1442823 0.90 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL12812482 0.90 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL12812481 0.89 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1442952 0.88 RAB9A (0.47) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1443294 0.88 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1443187 0.88 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4EPOLB

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
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
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 NPC1 4167/4885RAB9A 1365/4885ALDH1A1 3857/4885

“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.