SCHEMBL1441753

SCHEMBL1441753

Clc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.53
CNR2 P34972 4/20 0.48
HRH4 Q9H3N8 3/20 0.45
PTPN11 Q06124 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
SORD Q00796 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
MTOR P42345 3/20 0.42
PIK3CG P48736 3/20 0.42
PRKDC P78527 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
CNR1 P21554 1/20 0.41
HTR3A P46098 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1442754 0.90 PIK3CA (0.51) PIK3CACNR2HRH4PTPN11SORD
SCHEMBL1442757 0.88 NPC1 (0.53) PIK3CACNR2HRH4PTPN11ADORA3
SCHEMBL1442375 0.87 CNR2 (0.66) PIK3CACNR2HRH4PTPN11NPC1
SCHEMBL1443025 0.86 PIK3CA (0.53) PIK3CACNR2HRH4PTPN11NPC1
SCHEMBL27882019 0.85 PIK3CA (0.48) PIK3CAHRH4PTPN11NPC1MAPT
SCHEMBL27882005 0.85 PIK3CA (0.48) PIK3CACNR2HRH4PTPN11SORD
SCHEMBL1442626 0.85 CNR2 (0.50) PIK3CACNR2HRH4PTPN11ADORA3
SCHEMBL1442401 0.84 MAOB (0.54) PIK3CACNR2HRH4PTPN11ADORA3
SCHEMBL13276622 0.84 PIK3CA (0.48) PIK3CAHRH4PTPN11SORDNPC1
SCHEMBL1442699 0.83 NPC1 (0.52) PIK3CAHRH4NPC1MAPTRAB9A

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 11 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
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 PIK3CA 181/4885CNR2 3221/4885HRH4 1071/4885

“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.