SCHEMBL4845667

SCHEMBL4845667

Brc1cnc2[nH]c(-c3ccc(OCCCN4CCCC4)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.55
ACHE P22303 6/20 0.54
HRH3 Q9Y5N1 5/20 0.52
KCNH2 Q12809 1/20 0.52
DRD3 P35462 3/20 0.52
HRH4 Q9H3N8 1/20 0.51
TBK1 Q9UHD2 2/20 0.50
IKBKE Q14164 1/20 0.50
DRD2 P14416 2/20 0.49
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48

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
SCHEMBL4834824 0.99 CHEK2 (0.56) CHEK2ACHEHRH3KCNH2DRD3
SCHEMBL4844406 0.95 ACHE (0.61) CHEK2ACHETBK1IKBKE
SCHEMBL4844287 0.94 ACHE (0.62) CHEK2ACHEHRH3TBK1IKBKE
SCHEMBL4834143 0.91 TBK1 (0.59) ACHEHRH3KCNH2DRD3HRH4
SCHEMBL5260732 0.87 ACHE (0.55) CHEK2ACHEHRH3TBK1IKBKE
Trifluoroacetic Acid SCHEMBL4842116 0.86 CHEK2 (0.53) CHEK2ACHETBK1IKBKE
SCHEMBL4843624 0.85 ACHE (0.50) CHEK2ACHEDRD3HRH4TBK1
SCHEMBL4846045 0.85 ACHE (0.52) CHEK2ACHEDRD3HRH4TBK1
SCHEMBL4834923 0.85 ACHE (0.62) ACHETBK1IKBKE
SCHEMBL4837368 0.85 HRH3 (0.52) CHEK2ACHEHRH3TBK1IKBKE

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 5 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

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 CHEK2 309/4885ACHE 1390/4885HRH3 430/4885

“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.