SCHEMBL4158092

SCHEMBL4158092

O=C(NCCCc1cccnc1)c1ccnc2[nH]c(-c3cc[s+]([O-])c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.43
PTAFR P25105 9/20 0.43
GSK3B P49841 5/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL4169212 0.86 GSK3B (0.38) GSK3BEPHX2
SCHEMBL4148238 0.84 GSK3B (0.58) NAMPTPTAFRGSK3BEPHX2
SCHEMBL4162575 0.83 GSK3B (0.49) NAMPTPTAFRGSK3BEPHX2
SCHEMBL4154111 0.82 GSK3B (0.50) NAMPTPTAFRGSK3BEPHX2
SCHEMBL4958297 0.82 PBK (0.35) GSK3B
SCHEMBL4157386 0.80 GSK3B (0.59) NAMPTPTAFRGSK3B
SCHEMBL4145542 0.80 NAMPT (0.49) NAMPTPTAFRGSK3BEPHX2
SCHEMBL4156472 0.79 PBK (0.54) PTAFRGSK3BEPHX2
SCHEMBL4144996 0.78 GSK3B (0.58) NAMPTGSK3B
SCHEMBL4147494 0.77 GSK3B (0.53) NAMPTPTAFRGSK3B

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 4 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
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO 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

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 NAMPT 1225/4885PTAFR 1808/4885GSK3B 1/4885

“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.