SCHEMBL4844672

SCHEMBL4844672

N#Cc1ccc(N2CCN(CCOc3ccc(-c4nc5cc(Br)cnc5[nH]4)cc3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
TBK1 Q9UHD2 5/20 0.43
ACHE P22303 8/20 0.43
IKBKE Q14164 2/20 0.41
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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 SCHEMBL4838115 0.93 DGAT1 (0.41) DRD2DRD3TBK1ACHE
SCHEMBL6245899 0.88 CHEK2 (0.41) DRD2DRD3TBK1ACHEIKBKE
SCHEMBL6245898 0.88 CHEK2 (0.41) DRD2DRD3TBK1ACHEIKBKE
SCHEMBL4840594 0.86 NPSR1 (0.46)
SCHEMBL4834088 0.85 DRD3 (0.63) DRD2DRD3ACHEHRH1HRH3
SCHEMBL4842130 0.85 DRD3 (0.49) DRD2DRD3TBK1ACHE
SCHEMBL4850088 0.83 DRD2 (0.49) DRD2DRD3TBK1ACHEHRH3
SCHEMBL4844406 0.82 ACHE (0.61) TBK1ACHEIKBKE
SCHEMBL4846045 0.82 ACHE (0.52) DRD2DRD3TBK1ACHEIKBKE
SCHEMBL4843624 0.82 ACHE (0.50) DRD2DRD3TBK1ACHEIKBKE

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 DRD2 3267/4885DRD3 2580/4885TBK1 1029/4885

“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.