SCHEMBL4147630

SCHEMBL4147630

O=C(NCCc1ccc[n+]([O-])c1)c1ccnc2[nH]c(-c3ccsc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.49
GSK3A P49840 1/20 0.49
MET P08581 1/20 0.38
EGLN1 Q9GZT9 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35

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
SCHEMBL4159101 0.89 GSK3B (0.52) GSK3BGSK3AMET
SCHEMBL4160910 0.88 GSK3B (0.54) GSK3BEGLN1
SCHEMBL4145538 0.85 GSK3B (0.51) GSK3BGSK3AMET
SCHEMBL4148226 0.85 GSK3B (0.49) GSK3BGSK3AEGLN1
SCHEMBL4161415 0.85 GSK3B (0.51) GSK3B
SCHEMBL4147956 0.85 GSK3B (0.52) GSK3BGSK3AEGLN1RAD52UHRF1
SCHEMBL4167099 0.84 GSK3B (0.55) GSK3BGSK3ARAD52UHRF1
SCHEMBL4156911 0.83 GSK3B (0.44) GSK3BGSK3AMETRAD52UHRF1
SCHEMBL4148131 0.83 GSK3B (0.56) GSK3BGSK3AMETEGLN1RAD52
SCHEMBL4153463 0.82 GSK3B (0.41) GSK3BEGLN1

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 1/4885GSK3A 2/4885MET 1418/4885

“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.