SCHEMBL4843811

SCHEMBL4843811

OCC1CCCCN1CCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.46
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45
IKBKE Q14164 3/20 0.44
CHEK2 O96017 7/20 0.43
ACHE P22303 6/20 0.43
HRH3 Q9Y5N1 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL4844496 0.93 CHEK2 (0.43) TBK1CHRM1HTR2AMCHR1IKBKE
SCHEMBL6270456 0.91 TBK1 (0.46) TBK1CHRM1HTR2AMCHR1IKBKE
SCHEMBL4834675 0.86 KMT2A (0.39) TBK1IKBKECHEK2
SCHEMBL4844406 0.83 ACHE (0.61) TBK1IKBKECHEK2ACHE
SCHEMBL4838294 0.83 TBK1 (0.48) TBK1IKBKECHEK2ACHE
SCHEMBL4834384 0.82 CHEK2 (0.45) TBK1IKBKECHEK2ACHE
SCHEMBL4834392 0.82 CHEK2 (0.45) TBK1IKBKECHEK2ACHE
SCHEMBL4844287 0.82 ACHE (0.62) TBK1IKBKECHEK2ACHEHRH3
SCHEMBL4843516 0.81 NPSR1 (0.45) TBK1IKBKEACHE
SCHEMBL4840409 0.81 ACHE (0.48) TBK1IKBKECHEK2ACHEHRH3

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 7 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
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US 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 1029/4885CHRM1 321/4885HTR2A 3159/4885

“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.