SCHEMBL122041

SCHEMBL122041

CNC(=O)Nc1ccc(-c2cnc3c(NCc4cccnc4)nc4cc(C#N)ccc4n23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.43
EGFR P00533 1/20 0.42
CYP3A4 P08684 6/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX15 P16050 2/20 0.40
VNN1 O95497 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
SCHEMBL13077291 0.89 TTK (0.41) NAMPTCYP3A4CYP1A2HSD17B10CLK4
SCHEMBL122464 0.88 TTK (0.43) NAMPTCLK4MEN1KMT2ATTK
SCHEMBL3722608 0.86 TTK (0.42) NAMPTCLK4MEN1KMT2AVNN1
SCHEMBL6113424 0.85 IKBKB (0.42) ALDH1A1MEN1KMT2AKDM4ETTK
SCHEMBL6113284 0.85 TTK (0.40) TTKEPHB4
SCHEMBL6113168 0.85 RAB9A (0.41) ALDH1A1HSD17B10MAPK1TSHRKDM4E
SCHEMBL6113293 0.85 CLK4 (0.40) CYP3A4ALDH1A1CYP1A2HSD17B10CLK4
SCHEMBL121025 0.84 BRD4 (0.43) NAMPTCLK4TTKEPHB4
SCHEMBL121661 0.84 TTK (0.41) ALDH1A1KDM4EHPGDTTK
SCHEMBL175741 0.83 CYP1A2 (0.42) CYP3A4ALDH1A1CYP1A2HSD17B10CLK4

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-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
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 NAMPT 3398/4885EGFR 1572/4885CYP3A4 2198/4885

“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.