SCHEMBL4157420

SCHEMBL4157420

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 2/20 0.47
RAB9A P51151 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 1/20 0.45
PARP1 P09874 3/20 0.44
TNKS O95271 3/20 0.43
TNKS2 Q9H2K2 3/20 0.43
PARP2 Q9UGN5 2/20 0.43
RHEB Q15382 1/20 0.43
KDR P35968 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 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
SCHEMBL17224923 0.87 PKN1 (0.51) PKN1PKN2SMN1; SMN2MAPTNPC1
SCHEMBL4153447 0.87 PKN1 (0.51) PKN1PKN2SMN1; SMN2NPC1NFKB1
SCHEMBL4145561 0.87 PKN1 (0.56) PKN1PKN2SMN1; SMN2NPC1NFKB1
SCHEMBL4148352 0.85 DHODH (0.49) PARP1TNKSTNKS2KDRPBK
SCHEMBL4144871 0.81 PKN1 (0.47) PKN1PKN2SMN1; SMN2NPC1NFKB1
SCHEMBL4158223 0.80 PKN1 (0.49) PKN1PKN2KDM4ECCNB2CDK1
SCHEMBL4909019 0.80 RHEB (0.57) PKN1PKN2SMN1; SMN2MAPTNPC1
SCHEMBL17224893 0.79 PKN1 (0.44) PKN1PKN2SMN1; SMN2NPC1NFKB1
SCHEMBL4656711 0.79 GSK3B (0.54) PKN1PKN2SMN1; SMN2MAPTNPC1
SCHEMBL4910524 0.79 PARP1 (0.55) SMN1; SMN2PARP1CDK1

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 471/4885SMN1; SMN2 3695/4885

“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.