SCHEMBL4839489

SCHEMBL4839489

Cc1ccc(-c2c(Cl)cnc3[nH]c(-c4ccc(OCCN5CCOCC5)cc4)nc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.60
IKBKE Q14164 1/20 0.60
ACHE P22303 4/20 0.58
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
DHODH Q02127 1/20 0.49
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SRC P12931 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL6246065 0.89 TBK1 (0.53) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4841987 0.88 TBK1 (0.56) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4841957 0.87 TBK1 (0.64) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4834880 0.86 TBK1 (0.57) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4838086 0.86 TBK1 (0.63) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4838835 0.83 TBK1 (0.64) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4844041 0.83 TBK1 (0.59) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4839503 0.82 TBK1 (0.53) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4835004 0.79 TBK1 (0.60) TBK1IKBKEACHEADORA3ADORA2A
SCHEMBL4834064 0.79 ACHE (0.55) TBK1IKBKEACHEADORA3ADORA2A

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 8 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
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP claimed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO 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 TBK1 1029/4885IKBKE 95/4885ACHE 1390/4885

“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.