SCHEMBL120582

SCHEMBL120582

CNC(=O)Nc1ccc(-c2cnc3c(NCCCO)nc4ccc(F)cc4n23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.51
TTK P33981 1/20 0.42
IKBKB O14920 4/20 0.39
CDK11B P21127 2/20 0.39
CDK7 P50613 2/20 0.39
CDK13 Q14004 2/20 0.39
MAP3K19 Q56UN5 2/20 0.39
MYLK4 Q86YV6 2/20 0.39
CDK11A Q9UQ88 2/20 0.39
ABL1 P00519 1/20 0.39
CHUK O15111 3/20 0.38
MKNK1 Q9BUB5 1/20 0.38
ERN1 O75460 1/20 0.37
RPS6KA4 O75676 1/20 0.37
PRKD3 O94806 1/20 0.37
CDK1 P06493 1/20 0.37
KIT P10721 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL120811 0.97 BRD4 (0.53) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL3723242 0.91 BRD4 (0.49) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL123880 0.91 TTK (0.43) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL123312 0.89 BRD4 (0.49) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL123549 0.89 BRD4 (0.47) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL120584 0.88 BRD4 (0.46) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL6113162 0.88 BRD4 (0.46) BRD4TTK
SCHEMBL6113177 0.87 BRD4 (0.44) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL13077242 0.87 TTK (0.47) BRD4TTKIKBKBCDK11BCDK7
SCHEMBL120707 0.87 TTK (0.47) BRD4TTKIKBKBCDK11BCDK7

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 11 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
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 BRD4 1905/4885TTK 2/4885IKBKB 283/4885

“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.