SCHEMBL4144871

SCHEMBL4144871

COC(=O)c1ccnc2[nH]c(-c3ccoc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 2/20 0.47
PKN2 Q16513 2/20 0.47
NR4A2 P43354 1/20 0.40
GSK3B P49841 4/20 0.40
PSMD14 O00487 1/20 0.37
TMIGD3 P0DMS9 2/20 0.37
ADORA1 P30542 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAP2K1 Q02750 1/20 0.36
TOP2A P11388 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL8237142 0.87 GSK3B (0.41) PKN1PKN2GSK3BTMIGD3ADORA1
SCHEMBL4167033 0.86 GSK3B (0.42) GSK3BTMIGD3ADORA1TOP2A
SCHEMBL4145561 0.83 PKN1 (0.56) PKN1PKN2PSMD14KDM4EALDH1A1
SCHEMBL4153447 0.81 PKN1 (0.51) PKN1PKN2GSK3BKDM4EALDH1A1
SCHEMBL17224923 0.81 PKN1 (0.51) PKN1PKN2GSK3BPSMD14KDM4E
SCHEMBL4157420 0.81 PKN1 (0.51) PKN1PKN2GSK3BKDM4EALDH1A1
SCHEMBL4158223 0.79 PKN1 (0.49) PKN1PKN2NR4A2GSK3BPSMD14
SCHEMBL4157370 0.78 AXL (0.46) PKN1PKN2NR4A2PSMD14KDM4E
SCHEMBL4158077 0.77 TMIGD3 (0.42) GSK3BTMIGD3ADORA1ALDH1A1GAA
SCHEMBL17224893 0.76 PKN1 (0.44) PKN1PKN2GSK3BKDM4EALDH1A1

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 471/4885NR4A2 2796/4885

“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.