SCHEMBL4842398

SCHEMBL4842398

O=CNC1CCN(c2c(Cl)cnc3nc(-c4ccc(OCCN5CCOCC5)cc4)[nH]c23)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.61
IKBKE Q14164 2/20 0.61
AURKA O14965 5/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
ACHE P22303 1/20 0.46
JAK1 P23458 2/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
AURKB Q96GD4 2/20 0.43

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
SCHEMBL4837570 0.87 TBK1 (0.65) TBK1IKBKEAURKAADORA3ADORA2A
SCHEMBL4843136 0.85 TBK1 (0.74) TBK1IKBKEAURKAADORA3ADORA2A
SCHEMBL4842402 0.84 TBK1 (0.60) TBK1IKBKEAURKAADORA3ADORA2A
SCHEMBL4837330 0.79 TBK1 (0.70) TBK1IKBKEAURKAADORA3ADORA2A
SCHEMBL4834843 0.78 TBK1 (0.77) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4838932 0.77 TBK1 (0.69) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4834884 0.77 TBK1 (0.75) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4846026 0.77 TBK1 (1.00) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4833993 0.76 TBK1 (0.79) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4834315 0.76 TBK1 (0.73) TBK1IKBKEADORA3ADORA2AADORA2B

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
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US disclosed
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 TBK1 1029/4885IKBKE 95/4885AURKA 512/4885

“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.