SCHEMBL4153441

SCHEMBL4153441

O=C(O)c1ccnc2[nH]c(-c3ccco3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
POLB P06746 6/20 0.42
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TP53 P04637 3/20 0.42
GAA P10253 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 2/20 0.42
ESR1 P03372 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4157370 0.86 AXL (0.46) ALDH1A1KDM4EPOLBTP53GAA
SCHEMBL4145718 0.80 DHODH (0.57) MAPK1KDM4AKDM4C
SCHEMBL8223041 0.79 PBK (0.45) ALDH1A1KDM4EPOLBTDP1TP53
SCHEMBL17224889 0.78 DHODH (0.62) KDM4AKDM4C
SCHEMBL4150171 0.78 GSK3B (0.47) ALDH1A1KDM4EPOLBL3MBTL1HPGD
SCHEMBL1580971 0.77 GSK3B (0.53) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL4160869 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL4152749 0.77 PKM (0.49) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL4153424 0.76 NAMPT (0.55) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL4162798 0.76 GSK3B (0.48) ALDH1A1KDM4EPOLBHPGDRAB9A

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 ALDH1A1 4274/4885KDM4E 1174/4885POLB 2169/4885

“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.