SCHEMBL6113293

SCHEMBL6113293

CNC(=O)Nc1ccc(-c2cnc3c(NCc4cccs4)nc4cc(C#N)ccc4n23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.40
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 5/20 0.40
LMNA P02545 4/20 0.40
CYP2C19 P33261 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 3/20 0.40
USP2 O75604 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
FYN P06241 2/20 0.40
TTK P33981 2/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL13077301 0.89 FYN (0.42) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL123164 0.88 TTK (0.41) CLK4CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL6113168 0.87 RAB9A (0.41) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL6113424 0.85 IKBKB (0.42) ALDH1A1MEN1KMT2ATTKIDO1
SCHEMBL6113284 0.85 TTK (0.40) TTKIDO1GAA
SCHEMBL122041 0.85 NAMPT (0.43) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL175741 0.85 CYP1A2 (0.42) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL121661 0.84 TTK (0.41) ALDH1A1TTKIDO1KDM4EGAA
SCHEMBL3804195 0.83 TTK (0.46) TTKIDO1BRD4
SCHEMBL16882582 0.82 TTK (0.45) TTKIDO1GLABRD4

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 8 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-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 CLK4 264/4885CYP1A2 2970/4885CYP3A4 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.