SCHEMBL121040

SCHEMBL121040

CNC(=O)Nc1ccc(-c2cnc3c(NCc4ccccc4)nc4cc(C)c(C)cc4n23)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.43
CTNNB1 P35222 4/20 0.40
TCF7L2 Q9NQB0 4/20 0.40
IKBKB O14920 3/20 0.39
CHUK O15111 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 3/20 0.39
EPHB4 P54760 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
FLT1 P17948 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA1 P30542 1/20 0.37
THRB P10828 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
SCHEMBL120787 0.92 TTK (0.45) TTKEPHB4KDRFLT1
SCHEMBL122464 0.92 TTK (0.43) TTKEPHB4KMT2A
SCHEMBL175384 0.91 CTNNB1 (0.45) TTKCTNNB1TCF7L2EPHB4
SCHEMBL6113092 0.91 KDM4E (0.42) TTKBRD4EPHB4KDR
SCHEMBL120581 0.89 TTK (0.42) TTKIKBKBCHUKBRD4EPHB4
SCHEMBL6113496 0.88 TTK (0.41) TTKCTNNB1TCF7L2IKBKBCHUK
SCHEMBL174878 0.88 TTK (0.46) TTKIKBKBCHUKBRD4PDGFRB
SCHEMBL3723476 0.86 TTK (0.45) TTKIKBKBCHUKBRD4
SCHEMBL123164 0.86 TTK (0.41) TTKBRD4KDRKMT2A
SCHEMBL122898 0.86 TTK (0.60) TTKBRD4

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-8729082-B2 Substituted imidazoquinoxalines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-20 US claimed
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
CN-102413831-A Substituted imidazoquinoxalines BAYER SCHERING PHARMA AG 2012-04-11 CN 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-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

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 2/4885CTNNB1 4089/4885TCF7L2 3295/4885

“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.