SCHEMBL175741

SCHEMBL175741

CNC(=O)Nc1ccc(-c2cnc3c(NCCNC(C)=O)nc4cc(C#N)ccc4n23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
USP2 O75604 2/20 0.42
CYP2D6 P10635 1/20 0.42
IKBKB O14920 3/20 0.41
CHUK O15111 3/20 0.41
TTK P33981 1/20 0.40
BRD4 O60885 6/20 0.37
IDO1 P14902 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL6113424 0.91 IKBKB (0.42) IKBKBCHUKTTKBRD4IDO1
SCHEMBL121661 0.90 TTK (0.41) IKBKBCHUKTTKBRD4IDO1
SCHEMBL3804195 0.89 TTK (0.46) TTKBRD4IDO1EGLN2
SCHEMBL121481 0.85 IKBKB (0.44) IKBKBCHUKTTKBRD4NPC1
SCHEMBL16882582 0.85 TTK (0.45) TTKBRD4IDO1MOKEGLN2
SCHEMBL121029 0.85 TTK (0.45) TTKBRD4IDO1MOKEGLN2
SCHEMBL6113293 0.85 CLK4 (0.40) CYP1A2CYP3A4CLK4USP2CYP2D6
SCHEMBL6113437 0.84 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6TTKNPC1
SCHEMBL6113479 0.83 KDM4E (0.42) CYP1A2CYP3A4TTKBRD4NPC1
SCHEMBL122041 0.83 NAMPT (0.43) CYP1A2CYP3A4CLK4USP2CYP2D6

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 9 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
EP-2424537-A1 SUBSTITUTED IMIDAZOQUINOXALINES Bayer Pharma Aktiengesellschaft (DE) 2012-03-07 EP 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 CYP1A2 2970/4885CYP3A4 2198/4885CLK4 264/4885

“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.