SCHEMBL4153044

SCHEMBL4153044

Cc1ccnc2[nH]c(-c3cccs3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
KDM4E B2RXH2 8/20 0.48
HPGD P15428 8/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GLA P06280 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42

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
SCHEMBL12963880 0.82 GAA (0.47) GAAMGAMSIMGAM2KDM4E
SCHEMBL8211717 0.80 KDM4E (0.49) GAAMGAMSIMGAM2KDM4E
SCHEMBL8228838 0.80 PBK (0.47) GAAMGAMSIMGAM2KDM4E
SCHEMBL8212357 0.79 ERCC1 (0.44) GAAMGAMSIMGAM2KDM4E
SCHEMBL4157929 0.78 DHODH (0.50) GAAMGAMSIMGAM2KDM4E
SCHEMBL4157391 0.78 ERCC1 (0.54) GAAMGAMSIMGAM2KDM4E
SCHEMBL12964006 0.78 ERCC1 (0.54) KDM4EALDH1A1GSK3BERCC1FEN1
SCHEMBL18225434 0.77 GAA (0.54) GAAMGAMSIMGAM2KDM4E
SCHEMBL28360961 0.76 GAA (1.00) GAAMGAMSIMGAM2KDM4E
SCHEMBL1665479 0.75 TNKS (0.51) GAAMGAMSIMGAM2MAPT

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 GAA 992/4885MGAM 1298/4885SI 463/4885

“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.