SCHEMBL4160756

SCHEMBL4160756

COc1ccc(-c2nc3c(C(=O)O)ccnc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PLA2G2A P14555 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS2 P35354 1/20 0.50
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
DHODH Q02127 6/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM5A P29375 2/20 0.46
KDM4C Q9H3R0 1/20 0.46

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
SCHEMBL4154317 0.85 PIN1 (0.57) PARP1GSK3BDHODHKDM4CKDM5B
SCHEMBL17224889 0.84 DHODH (0.62) PARP1DHODHKDM5AKDM4CKDM5B
SCHEMBL4145718 0.84 DHODH (0.57) PARP1DHODHCYP1A2CYP2C19KDM5A
SCHEMBL4930977 0.83 TBK1 (0.57) PARP1PLA2G2AALOX15PTGS2GSK3A
SCHEMBL4157107 0.83 DHODH (0.49) PARP1GSK3BDHODH
SCHEMBL17224818 0.83 DHODH (0.49) PARP1DHODHRXFP1
SCHEMBL4148352 0.83 DHODH (0.49) PARP1DHODHKDM4CCHEK2
SCHEMBL17224929 0.82 DHODH (0.71) PARP1DHODH
SCHEMBL21101968 0.80 PARP1 (0.54) PARP1PLA2G2AALOX15PTGS2GSK3A
SCHEMBL3919893 0.80 PARP1 (0.50) PARP1GSK3AGSK3BDHODHKDM5A

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 4 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 claimed
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 claimed
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 claimed
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

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 PARP1 1827/4885PLA2G2A 4680/4885ALOX15 4431/4885

“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.