SCHEMBL4148192

SCHEMBL4148192

CC(C)CCC(C)NC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.43
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PARP1 P09874 1/20 0.37
MAPK14 Q16539 2/20 0.36

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
SCHEMBL4161480 0.89 HDAC4 (0.43) GSK3BALDH1A1PARP1
SCHEMBL4162767 0.87 GSK3B (0.41) GSK3BALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4152071 0.85 RAD52 (0.41) GSK3BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4145524 0.84 GSK3B (0.45) GSK3BCYP1A2CYP2C19PARP1MAPK14
SCHEMBL8234676 0.83 NPC1 (0.34) GSK3BALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13778306 0.78 GSK3B (0.40) GSK3BCYP1A2CYP2C19PARP1MAPK14
SCHEMBL4165073 0.78 GSK3B (0.45) GSK3BPARP1
SCHEMBL4157107 0.77 DHODH (0.49) GSK3BPARP1MAPK14
SCHEMBL4152713 0.77 SYK (0.43) GSK3BPARP1
SCHEMBL4165287 0.77 GSK3B (0.44) GSK3BPARP1

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 1/4885ALDH1A1 4274/4885NPC1 2497/4885

“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.