SCHEMBL121029

SCHEMBL121029

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.45
EGLN2 Q96KS0 1/20 0.36
GLA P06280 1/20 0.35
IDO1 P14902 1/20 0.34
ALOX5AP P20292 1/20 0.34
CETP P11597 3/20 0.34
ADORA1 P30542 1/20 0.33
BRD4 O60885 1/20 0.33
PRF1 P14222 1/20 0.33
MOK Q9UQ07 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL16882582 1.00 TTK (0.45) TTKEGLN2GLAIDO1ALOX5AP
SCHEMBL6113424 0.89 IKBKB (0.42) TTKEGLN2GLAIDO1ALOX5AP
SCHEMBL13077304 0.88 TTK (0.47) TTKBRD4PRF1
SCHEMBL121661 0.87 TTK (0.41) TTKGLAIDO1BRD4
SCHEMBL3804195 0.87 TTK (0.46) TTKEGLN2IDO1CETPBRD4
SCHEMBL175741 0.85 CYP1A2 (0.42) TTKEGLN2IDO1BRD4MOK
SCHEMBL13077242 0.83 TTK (0.47) TTKBRD4
SCHEMBL120707 0.83 TTK (0.47) TTKBRD4
SCHEMBL122041 0.82 NAMPT (0.43) TTK
SCHEMBL6113293 0.82 CLK4 (0.40) TTKGLAIDO1BRD4

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 7 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
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 2/4885EGLN2 4319/4885GLA 2592/4885

“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.