SCHEMBL4154317

SCHEMBL4154317

COc1cccc(-c2nc3c(C(=O)O)ccnc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.57
PARP1 P09874 1/20 0.56
DHODH Q02127 7/20 0.54
GSK3B P49841 2/20 0.52
AURKA O14965 1/20 0.49
SLC9A1 P19634 1/20 0.47
KDM4C Q9H3R0 2/20 0.47
KDM5B Q9UGL1 1/20 0.47
KDM4A O75164 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
SCHEMBL4160756 0.85 PARP1 (0.50) PARP1DHODHGSK3BKDM4CKDM5B
SCHEMBL5015630 0.83 DHODH (0.53) PIN1PARP1DHODHGSK3B
SCHEMBL4145718 0.82 DHODH (0.57) PIN1PARP1DHODHKDM4CKDM5B
SCHEMBL4162893 0.82 PIN1 (0.53) PIN1PARP1DHODHGSK3BSLC9A1
SCHEMBL4161253 0.82 DHODH (0.60) PIN1PARP1DHODHGSK3BSLC9A1
SCHEMBL4154100 0.81 GSK3B (0.53) PARP1GSK3B
SCHEMBL4158103 0.81 GSK3B (0.77) PIN1PARP1GSK3B
SCHEMBL13778234 0.81 GSK3B (0.55) PIN1PARP1GSK3B
SCHEMBL17224889 0.80 DHODH (0.62) PARP1DHODHKDM4CKDM5BKDM4A
SCHEMBL3691961 0.79 PIN1 (0.56) PIN1PARP1DHODHAURKA

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 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

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 PIN1 738/4885PARP1 1827/4885DHODH 3332/4885

“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.