SCHEMBL4158103

SCHEMBL4158103

COc1cccc(-c2nc3c(C(=O)Nc4cnccc4C)ccnc3[nH]2)c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.77
GSK3A P49840 2/20 0.61
PARP1 P09874 1/20 0.46
PIN1 Q13526 1/20 0.44
HCRTR1 O43613 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL4169267 0.89 GSK3B (0.76) GSK3BGSK3APARP1MEN1KMT2A
SCHEMBL4157392 0.88 GSK3B (0.79) GSK3BGSK3APARP1HCRTR1ALDH1A1
SCHEMBL4152722 0.87 GSK3B (0.60) GSK3BGSK3APARP1PIN1
SCHEMBL4157388 0.87 GSK3B (0.59) GSK3BGSK3A
SCHEMBL4148244 0.86 GSK3B (0.63) GSK3BGSK3APARP1PIN1HCRTR1
SCHEMBL4152202 0.85 GSK3B (0.56) GSK3BGSK3A
SCHEMBL4152895 0.84 GSK3B (0.60) GSK3BGSK3AALDH1A1MAPT
SCHEMBL13778234 0.83 GSK3B (0.55) GSK3BPARP1PIN1HCRTR1ALDH1A1
SCHEMBL4154100 0.81 GSK3B (0.53) GSK3BPARP1ALDH1A1NPSR1KDM4E
SCHEMBL4154317 0.81 PIN1 (0.57) GSK3BPARP1PIN1

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 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 1/4885GSK3A 2/4885PARP1 1827/4885

“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.