SCHEMBL4153447

SCHEMBL4153447

COC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
ALOX5 P09917 2/20 0.49
MAPK13 O15264 1/20 0.49
GCGR P47871 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
GSK3B P49841 5/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TNKS O95271 3/20 0.43

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
SCHEMBL17224923 0.87 PKN1 (0.51) PKN1PKN2GSK3BNPC1RAB9A
SCHEMBL4157420 0.87 PKN1 (0.51) PKN1PKN2GSK3BNPC1RAB9A
SCHEMBL4145561 0.87 PKN1 (0.56) PKN1PKN2NPC1RAB9ASMN1; SMN2
SCHEMBL4157107 0.85 DHODH (0.49) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL13778349 0.84 PARP1 (0.52) PKN1PKN2MAPK13GSK3BPARP2
SCHEMBL4165073 0.81 GSK3B (0.45) PKN1PKN2GSK3BPARP1LMNA
SCHEMBL4144871 0.81 PKN1 (0.47) PKN1PKN2GSK3BNPC1RAB9A
SCHEMBL4152900 0.81 GSK3B (0.51) MAPK14GSK3BL3MBTL1KDM4EALDH1A1
SCHEMBL4158223 0.80 PKN1 (0.49) PKN1PKN2GSK3BKDM4E
SCHEMBL17224893 0.79 PKN1 (0.44) PKN1PKN2GSK3BNPC1RAB9A

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 disclosed
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 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 PKN1 527/4885PKN2 471/4885ALOX5 4208/4885

“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.