SCHEMBL4157142

SCHEMBL4157142

O=C(NC1(C(=O)O)CC2CCC1C2)c1ccnc2[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.37
MAPK14 Q16539 2/20 0.36
HSD11B1 P28845 1/20 0.36
PARP1 P09874 3/20 0.33
PBK Q96KB5 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL13778110 0.87 GSK3B (0.38) GSK3BMAPK14HSD11B1PARP1PBK
SCHEMBL4152905 0.82 CNR2 (0.47) GSK3BPBK
SCHEMBL4159185 0.80 GSK3B (0.40) GSK3BMAPK14PARP1PBK
SCHEMBL8234375 0.76 HSD17B10 (0.41) GSK3BPBK
SCHEMBL13778115 0.76 HSD17B10 (0.41) GSK3BPBK
SCHEMBL4156921 0.75 GSK3B (0.42) GSK3BMAPK14HSD11B1PARP1PBK
SCHEMBL4160333 0.74 PBK (0.47) GSK3BPBK
SCHEMBL4157107 0.74 DHODH (0.49) GSK3BMAPK14PARP1DHODH
SCHEMBL4152141 0.74 NPC1 (0.48) PBK
SCHEMBL4152581 0.74 NPC1 (0.48) PBK

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
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

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 69/4885HSD11B1 2533/4885

“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.