SCHEMBL119397

SCHEMBL119397

CNC(=O)Nc1ccc(-c2cnc3c(NCCOC)nc4cc(C)c(C)cc4n23)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.43
BRD4 O60885 12/20 0.43
IKBKB O14920 3/20 0.39
CHUK O15111 3/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
SYK P43405 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL3723476 0.90 TTK (0.45) TTKBRD4IKBKBCHUKCDK1
SCHEMBL123549 0.89 BRD4 (0.47) TTKBRD4IKBKBCCNB2CDK1
SCHEMBL174878 0.88 TTK (0.46) TTKBRD4IKBKBCHUKMAPT
SCHEMBL122952 0.88 IKBKB (0.43) TTKBRD4IKBKBCHUKMAPT
SCHEMBL8280161 0.88 TTK (0.43) TTKBRD4IKBKBCHUKCDK1
SCHEMBL122086 0.86 TTK (0.42) TTKBRD4IKBKBCHUKCDK1
SCHEMBL122898 0.86 TTK (0.60) TTKBRD4
SCHEMBL123972 0.84 TTK (0.43) TTKIKBKBCHUK
SCHEMBL121040 0.84 TTK (0.43) TTKBRD4IKBKBCHUK
SCHEMBL3723242 0.84 BRD4 (0.49) TTKBRD4IKBKBMALT1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
EP-2424537-A1 SUBSTITUTED IMIDAZOQUINOXALINES Bayer Pharma Aktiengesellschaft (DE) 2012-03-07 EP claimed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO claimed
EP-2424537-B1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER IP GMBH (DE) 2015-07-08 EP disclosed
EP-2424537-B1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER IP GMBH (DE) 2015-07-08 EP disclosed
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US disclosed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 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-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES TTBK1, TTK, TTBK2 TTK 2/4885BRD4 1905/4885IKBKB 283/4885

“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.