SCHEMBL4160910

SCHEMBL4160910

O=C(NCCc1ccc[n+]([O-])c1)c1ccnc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.54
EGLN1 Q9GZT9 1/20 0.41
RAB9A P51151 1/20 0.39
PDE2A O00408 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4152315 0.89 GSK3B (0.57) GSK3BEGLN1RAB9AHIF1A
SCHEMBL4148226 0.89 GSK3B (0.49) GSK3BEGLN1
SCHEMBL4147630 0.88 GSK3B (0.49) GSK3BEGLN1
SCHEMBL4153463 0.86 GSK3B (0.41) GSK3BEGLN1RAB9AKDM4EALDH1A1
SCHEMBL4161415 0.85 GSK3B (0.51) GSK3B
SCHEMBL4157386 0.83 GSK3B (0.59) GSK3BEGLN1RAB9AHIF1A
SCHEMBL4151960 0.83 GSK3B (0.64) GSK3BEGLN1RAB9AHIF1AALDH1A1
SCHEMBL4152082 0.83 GSK3B (0.48) GSK3BEGLN1HIF1A
SCHEMBL4169212 0.83 GSK3B (0.38) GSK3BALDH1A1
SCHEMBL4152720 0.82 GSK3B (0.62) GSK3BEGLN1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US disclosed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 GSK3B 1/4885EGLN1 3684/4885RAB9A 2749/4885

“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.