SCHEMBL4834141

SCHEMBL4834141

O=[N+]([O-])c1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)ccc1OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.54
IKBKE Q14164 1/20 0.54
ADORA2A P29274 4/20 0.47
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMO O15229 3/20 0.42
ACHE P22303 1/20 0.42
CHEK1 O14757 1/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL4844250 0.85 TBK1 (0.58) TBK1IKBKEADORA2AKDM4EALDH1A1
SCHEMBL4841712 0.82 KDM4E (0.47) TBK1IKBKEADORA2AKDM4ENPC1
SCHEMBL4835094 0.77 ADORA2A (0.46) TBK1ADORA2AKDM4ENPC1ALDH1A1
SCHEMBL17609969 0.72 CYP1A2 (0.57) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4834884 0.72 TBK1 (0.75) TBK1IKBKEADORA2AKDM4ENPC1
SCHEMBL4843136 0.72 TBK1 (0.74) TBK1IKBKEADORA2AACHEADORA1
SCHEMBL4834315 0.71 TBK1 (0.73) TBK1IKBKEADORA2AACHEADORA1
SCHEMBL2029093 0.71 CYP1A2 (0.68) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL213401 0.71 CYP1A2 (0.65) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4844138 0.71 TBK1 (0.61) TBK1IKBKE

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
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP 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
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 WO 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 95/4885ADORA2A 913/4885

“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.