SCHEMBL174878

SCHEMBL174878

CCNc1nc2cc(C)c(C)cc2n2c(-c3ccc(NC(=O)NC)cc3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.46
IKBKB O14920 7/20 0.39
CHUK O15111 5/20 0.39
MAPT P10636 3/20 0.38
HPSE Q9Y251 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
BRD4 O60885 4/20 0.36
CDK11B P21127 1/20 0.35
CDK7 P50613 1/20 0.35
CDK13 Q14004 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
MYLK4 Q86YV6 1/20 0.35
CDK11A Q9UQ88 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3723476 0.93 TTK (0.45) TTKIKBKBCHUKMAPTHPSE
SCHEMBL13077243 0.91 TTK (0.45) TTKIKBKBCHUKBRD4CDK11B
SCHEMBL122898 0.90 TTK (0.60) TTKBRD4
SCHEMBL122952 0.88 IKBKB (0.43) TTKIKBKBCHUKMAPTBRD4
SCHEMBL119397 0.88 TTK (0.43) TTKIKBKBCHUKMAPTBRD4
SCHEMBL8280161 0.88 TTK (0.43) TTKIKBKBCHUKMAPTPDGFRB
SCHEMBL121040 0.88 TTK (0.43) TTKIKBKBCHUKPDGFRBKDR
SCHEMBL123972 0.88 TTK (0.43) TTKIKBKBCHUKHPSEPDGFRB
SCHEMBL120787 0.87 TTK (0.45) TTKKDR
SCHEMBL175384 0.87 CTNNB1 (0.45) 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 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
CN-102413831-A Substituted imidazoquinoxalines BAYER SCHERING PHARMA AG 2012-04-11 CN 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 TTK 2/4885IKBKB 283/4885CHUK 276/4885

“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.