SCHEMBL4157340

SCHEMBL4157340

O=C(NCCCc1ccncc1)c1ccnc2[nH]c(-c3ccco3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.50
CACNA1B Q00975 3/20 0.48
APBA1 Q02410 3/20 0.48
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 1/20 0.39
EPHX2 P34913 1/20 0.39
NAMPT P43490 1/20 0.38
RAD52 P43351 1/20 0.38
UHRF1 Q96T88 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 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
SCHEMBL4150171 0.94 GSK3B (0.47) GSK3BCACNA1BAPBA1MEN1USP2
SCHEMBL4145542 0.90 NAMPT (0.49) GSK3BCACNA1BAPBA1MEN1KMT2A
SCHEMBL4153564 0.86 GSK3B (0.53) GSK3BCACNA1BAPBA1MEN1USP2
SCHEMBL4153424 0.84 NAMPT (0.55) GSK3BCACNA1BAPBA1MEN1USP2
SCHEMBL4152778 0.84 GSK3B (0.46) GSK3BCACNA1BAPBA1MEN1POLB
SCHEMBL4152170 0.83 GSK3B (0.47) GSK3BCACNA1BAPBA1MEN1USP2
SCHEMBL4161610 0.83 GSK3B (0.43) GSK3BCACNA1BAPBA1MEN1USP2
SCHEMBL4147746 0.82 GSK3B (0.49) GSK3BMEN1USP2POLBGAA
SCHEMBL4148229 0.82 PBK (0.56) GSK3BNPC1
SCHEMBL4157415 0.81 GSK3B (0.56) GSK3BGAASMN1; SMN2ALDH1A1NAMPT

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 7 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
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
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 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.