SCHEMBL4152663

SCHEMBL4152663

O=C(NCCc1cccc[n+]1[O-])c1ccnc2[nH]c(-c3ccco3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.46
CACNA1B Q00975 5/20 0.38
APBA1 Q02410 5/20 0.38
ADORA3 P0DMS8 4/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2B P29275 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
ESR2 Q92731 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PTPN7 P35236 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL4152082 0.87 GSK3B (0.48) GSK3B
SCHEMBL4161610 0.85 GSK3B (0.43) GSK3BCACNA1BAPBA1ADORA3ADORA2A
SCHEMBL4160345 0.85 GSK3B (0.50) GSK3BMEN1KMT2ANPC1RAB9A
SCHEMBL4153463 0.83 GSK3B (0.41) GSK3BCACNA1BAPBA1ADORA3ADORA2A
SCHEMBL4161271 0.83 PBK (0.48) GSK3B
SCHEMBL4156911 0.82 GSK3B (0.44) GSK3B
SCHEMBL4152749 0.82 PKM (0.49) GSK3BADORA3ADORA2AADORA1ADORA2B
SCHEMBL4162798 0.81 GSK3B (0.48) GSK3BCACNA1BAPBA1ADORA3ADORA2A
SCHEMBL4150171 0.81 GSK3B (0.47) GSK3BCACNA1BAPBA1ADORA3ADORA2A
SCHEMBL4152170 0.80 GSK3B (0.47) GSK3BCACNA1BAPBA1ADORA3ADORA2A

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 1/4885CACNA1B 4611/4885APBA1 1975/4885

“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.