SCHEMBL1441771

SCHEMBL1441771

Cc1cc(-c2ccc3ncc(N4CCN(Cc5cccc(Cl)c5)CC4)nc3c2)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
HRH4 Q9H3N8 2/20 0.42
RET P07949 1/20 0.42
MAPT P10636 4/20 0.41
TSHR P16473 1/20 0.41
MELK Q14680 1/20 0.41
TP53 P04637 2/20 0.40
PHGDH O43175 1/20 0.40
GPR6 P46095 1/20 0.39
AVPR1B P47901 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
SCHEMBL10179172 0.91 NPC1 (0.63) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL12812481 0.89 NPC1 (0.49) NPC1RAB9AHCRTR1HCRTR2ALDH1A1
SCHEMBL1443431 0.88 NPC1 (0.58) NPC1RAB9AHCRTR1HCRTR2ALDH1A1
SCHEMBL1442613 0.86 NPC1 (0.47) NPC1RAB9AHCRTR1HCRTR2ALDH1A1
SCHEMBL10178977 0.86 NPC1 (0.50) NPC1RAB9AHCRTR1HCRTR2ALDH1A1
SCHEMBL1442823 0.86 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL12812482 0.86 NPC1 (0.49) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1442952 0.84 RAB9A (0.47) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1443187 0.83 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1442658 0.83 MAPT (0.43) 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
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
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 1365/4885HCRTR1 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.