SCHEMBL4843624

SCHEMBL4843624

OCCN1CCN(CCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.50
TBK1 Q9UHD2 5/20 0.48
CHEK2 O96017 1/20 0.47
IKBKE Q14164 1/20 0.46
DRD3 P35462 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
DRD2 P14416 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL6218701 0.94 ACHE (0.45) ACHETBK1CHEK2IKBKEPDK1
Trifluoroacetic Acid SCHEMBL4841456 0.92 CHEK2 (0.45) ACHETBK1CHEK2IKBKEDRD3
SCHEMBL4844406 0.91 ACHE (0.61) ACHETBK1CHEK2IKBKEADORA3
SCHEMBL4846045 0.90 ACHE (0.52) ACHETBK1CHEK2IKBKEDRD3
SCHEMBL4844287 0.90 ACHE (0.62) ACHETBK1CHEK2IKBKEADORA3
SCHEMBL4838294 0.88 TBK1 (0.48) ACHETBK1CHEK2IKBKE
SCHEMBL4840409 0.88 ACHE (0.48) ACHETBK1CHEK2IKBKE
SCHEMBL4834923 0.88 ACHE (0.62) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL5258260 0.88 CYP4F2 (0.54) ACHETBK1CHEK2IKBKEDRD3
SCHEMBL4843809 0.87 CHEK2 (0.50) CHEK2

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 1029/4885CHEK2 309/4885

“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.