SCHEMBL4840913

SCHEMBL4840913

COc1c(Cl)cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.55
TBK1 Q9UHD2 8/20 0.55
IKBKE Q14164 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
PARP1 P09874 1/20 0.50
DHODH Q02127 1/20 0.50
ESR1 P03372 1/20 0.47
AXL P30530 1/20 0.47
CHEK2 O96017 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL4838086 0.90 TBK1 (0.63) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL4844297 0.83 JAK1 (0.44) ACHETBK1IKBKEADORA2ADHODH
SCHEMBL4834739 0.83 JAK1 (0.49) ACHETBK1IKBKEADORA2APARP1
SCHEMBL4839657 0.81 TBK1 (0.63) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL17289812 0.80 ACHE (0.58) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL4844041 0.79 TBK1 (0.59) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL6219742 0.79 CHEK2 (0.49) CHEK2
SCHEMBL4841957 0.79 TBK1 (0.64) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL4839843 0.78 ACHE (0.72) ACHETBK1IKBKEADORA3ADORA2A
SCHEMBL4839489 0.76 TBK1 (0.60) ACHETBK1IKBKEADORA3ADORA2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US claimed
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.