SCHEMBL4154174

SCHEMBL4154174

O=C(NC1CN2C#CC1CC2)c1ccnc2[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.38
MAPK14 Q16539 3/20 0.36
HSD17B10 Q99714 1/20 0.35
PBK Q96KB5 1/20 0.34
PARP1 P09874 4/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GSK3A P49840 1/20 0.33

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
SCHEMBL4145550 0.87 PARP1 (0.40) PBKPARP1
SCHEMBL4153098 0.86 PARP1 (0.38) GSK3BPARP1GSK3A
SCHEMBL4152814 0.86 AURKB (0.37) GSK3BPBKPARP1GSK3A
SCHEMBL13778112 0.83 HTR3A (0.46)
SCHEMBL4156452 0.80 CNR1 (0.44) GSK3BPBKHCRTR1HCRTR2
SCHEMBL4160333 0.79 PBK (0.47) GSK3BPBK
SCHEMBL4152581 0.78 NPC1 (0.48) PBK
SCHEMBL4152141 0.78 NPC1 (0.48) PBK
SCHEMBL13778127 0.78 CNR1 (0.43) GSK3BMAPK14PBKHCRTR1HCRTR2
SCHEMBL8234375 0.78 HSD17B10 (0.41) GSK3BHSD17B10PBK

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 GSK3B 1/4885MAPK14 69/4885HSD17B10 3041/4885

“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.