SCHEMBL4842227

SCHEMBL4842227

CCc1ccccc1Nc1c(Cl)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 12/20 0.73
IKBKE Q14164 2/20 0.73
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
JAK1 P23458 3/20 0.50
ACHE P22303 2/20 0.47
EGFR P00533 1/20 0.47
JAK2 O60674 2/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL4834654 0.89 TBK1 (0.73) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4842291 0.89 TBK1 (0.73) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4833993 0.88 TBK1 (0.79) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4840452 0.85 TBK1 (0.72) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4846026 0.85 TBK1 (1.00) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4843679 0.84 TBK1 (0.78) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL6250046 0.83 TBK1 (0.77) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4842152 0.83 TBK1 (0.73) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4840443 0.83 TBK1 (0.73) TBK1IKBKEADORA3ADORA2AADORA2B
SCHEMBL4834234 0.83 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 95/4885ADORA3 694/4885

“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.