SCHEMBL4157684

SCHEMBL4157684

O=C(NCCc1cccc(OCCN2CCOCC2)c1)c1ccnc2[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.50
ROCK1 Q13464 2/20 0.50
ROCK2 O75116 1/20 0.50
SRC P12931 1/20 0.44
EPHX2 P34913 3/20 0.43
MAPK14 Q16539 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
AURKB Q96GD4 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MET P08581 1/20 0.42
GLS O94925 1/20 0.42
DHODH Q02127 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL4149251 0.96 GSK3B (0.49) GSK3BROCK1ROCK2EPHX2DHODH
SCHEMBL4147754 0.83 GSK3B (0.54) GSK3BROCK1ROCK2MAPK14HRH3
SCHEMBL4147655 0.79 GSK3B (0.75) GSK3B
SCHEMBL4164524 0.79 GSK3B (0.61) GSK3B
SCHEMBL4145732 0.77 HTR2A (0.46) GSK3BEPHX2
SCHEMBL4161862 0.77 GSK3B (0.59) GSK3BROCK1ROCK2
SCHEMBL4161197 0.77 GSK3B (0.55) GSK3BDHODH
SCHEMBL4165088 0.77 GSK3B (0.58) GSK3B
SCHEMBL4152073 0.76 GSK3B (0.59) GSK3BDHODH
SCHEMBL4908247 0.76 ROCK1 (0.52) ROCK1ROCK2ADORA2A

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 6 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

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 1/4885ROCK1 481/4885ROCK2 487/4885

“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.