SCHEMBL119528

SCHEMBL119528

CNC(=O)Nc1ccc(-c2cnc3c(NCC4CC4)nc4cc(F)c(F)cc4n23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.42
IDO1 P14902 2/20 0.36
PIK3CA P42336 6/20 0.35
MTOR P42345 6/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
IKBKB O14920 1/20 0.34
CDK11B P21127 1/20 0.34
CDK7 P50613 1/20 0.34
CDK13 Q14004 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
CDK11A Q9UQ88 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL123972 0.91 TTK (0.43) TTKPIK3CAMTORIKBKBPIM1
SCHEMBL13077243 0.89 TTK (0.45) TTKIDO1IKBKBCDK11BCDK7
SCHEMBL120110 0.87 TTK (0.44) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL122056 0.85 TTK (0.43) TTKMERTKIKBKBCDK11BCDK7
SCHEMBL123880 0.85 TTK (0.43) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL121481 0.85 IKBKB (0.44) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL3720432 0.84 EPHB4 (0.43) TTK
SCHEMBL3719730 0.83 TTK (0.42) TTK
SCHEMBL8508601 0.82 TTK (0.37) TTKIDO1PIK3CAMTORMERTK
SCHEMBL175886 0.82 TTK (0.60) TTK

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 13 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-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
US-20120128662-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO 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 2/4885IDO1 2236/4885PIK3CA 432/4885

“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.