SCHEMBL1647066

SCHEMBL1647066

COC(=O)c1cc(C)nc(-c2ccc3[nH]cc(C#N)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.42
PFKFB2 O60825 1/20 0.40
PFKFB1 P16118 1/20 0.40
PFKFB3 Q16875 1/20 0.40
XDH P47989 1/20 0.40
ADORA2B P29275 2/20 0.40
ADORA2A P29274 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HASPIN Q8TF76 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37

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
SCHEMBL10819456 0.88 CCNT1 (0.41) PFKFB2PFKFB1PFKFB3XDHCCNT1
SCHEMBL1646960 0.83 KDM4E (0.48) NR4A2PFKFB2PFKFB1PFKFB3XDH
SCHEMBL1647790 0.81 ALDH1A1 (0.47) NR4A2CCNT1CDK9HASPINGPR84
SCHEMBL6599204 0.80 GPR84 (0.55) NR4A2PFKFB2PFKFB1PFKFB3XDH
SCHEMBL1646145 0.79 CCNT1 (0.42) NR4A2CCNT1CDK9HASPINGPR84
SCHEMBL1646148 0.79 CCNT1 (0.42) NR4A2CCNT1CDK9HASPINGPR84
SCHEMBL1646149 0.79 CCNT1 (0.42) NR4A2CCNT1CDK9HASPINGPR84
SCHEMBL1648927 0.78 CDK8 (0.45) ALDH1A1
SCHEMBL31072385 0.78 NR4A2 (0.44) NR4A2PFKFB2PFKFB1PFKFB3XDH
SCHEMBL31072374 0.77 XDH (0.45) NR4A2PFKFB2PFKFB1PFKFB3XDH

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467378-B1 COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD (KR) 2016-07-27 EP disclosed
US-8729273-B2 Compounds effective as xanthine oxidase inhibitors, method for preparing the same, and pharmaceutical composition containing the same LG LIFE SCIENCES LTD. (KR) 2014-05-20 US disclosed
US-8729273-B2 Compounds effective as xanthine oxidase inhibitors, method for preparing the same, and pharmaceutical composition containing the same LG LIFE SCIENCES LTD. (KR) 2014-05-20 US disclosed
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG CHEM, LTD. (KR) 2012-07-19 US disclosed
US-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG CHEM, LTD. (KR) 2012-07-19 US disclosed
EP-2467378-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG Life Sciences Ltd (KR) 2012-06-27 EP disclosed
WO-2011043568-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2011-04-14 WO disclosed
WO-2011043568-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2011-04-14 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-20120184582-A1 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME XDH, PNPO, AOX1 NR4A2 2534/4885PFKFB2 1913/4885PFKFB1 1854/4885

“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.