SCHEMBL4841547

SCHEMBL4841547

CN(C)C1CCN(CCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.50
HRH3 Q9Y5N1 6/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 2/20 0.45
ACHE P22303 7/20 0.44
TBK1 Q9UHD2 4/20 0.42
IKBKE Q14164 1/20 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 SCHEMBL4838943 0.92 HRH3 (0.45) TLR7HRH3HRH2HRH1HRH4
SCHEMBL6246858 0.86 HRH3 (0.42) TLR7HRH3HRH2HRH1HRH4
SCHEMBL4834847 0.86 LTA4H (0.47) HRH3HRH2HRH1ACHETBK1
SCHEMBL4838040 0.85 KMT2A (0.41) TLR7HRH3HRH4
SCHEMBL4840409 0.84 ACHE (0.48) HRH3HRH2HRH1ACHETBK1
SCHEMBL4834168 0.83 HRH4 (0.46) HRH4ACHETBK1IKBKE
SCHEMBL4845601 0.83 ACHE (0.48) HRH3HRH2HRH1ACHETBK1
SCHEMBL4844406 0.83 ACHE (0.61) ACHETBK1IKBKE
SCHEMBL4838294 0.83 TBK1 (0.48) ACHETBK1IKBKE
SCHEMBL4846045 0.82 ACHE (0.52) HRH4ACHETBK1IKBKE

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 TLR7 2395/4885HRH3 430/4885HRH2 318/4885

“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.