SCHEMBL4844287

SCHEMBL4844287

Brc1cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.62
TBK1 Q9UHD2 9/20 0.57
IKBKE Q14164 3/20 0.57
CHEK2 O96017 2/20 0.56
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL4844406 0.99 ACHE (0.61) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4834824 0.95 CHEK2 (0.56) ACHETBK1IKBKECHEK2HRH3
SCHEMBL4845667 0.94 CHEK2 (0.55) ACHETBK1IKBKECHEK2HRH3
SCHEMBL5260732 0.93 ACHE (0.55) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4837368 0.91 HRH3 (0.52) ACHETBK1IKBKECHEK2HRH3
Trifluoroacetic Acid SCHEMBL4842116 0.90 CHEK2 (0.53) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4834923 0.90 ACHE (0.62) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL4843624 0.90 ACHE (0.50) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4846045 0.90 ACHE (0.52) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4840409 0.88 ACHE (0.48) ACHETBK1IKBKECHEK2HRH3

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 ACHE 1390/4885TBK1 1029/4885IKBKE 95/4885

“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.