SCHEMBL1647161

SCHEMBL1647161

COC(=O)c1ccnc(-c2ccc3[nH]cc(C(N)=O)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.52
KDM4E B2RXH2 1/20 0.49
KDM6B O15054 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
JMJD6 Q6NYC1 1/20 0.44
AXL P30530 3/20 0.44
ASH1L Q9NR48 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
NEK1 Q96PY6 4/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL26613985 0.84 KDM4E (0.51) NR4A2KDM4EKDM6BKDM5CKDM4C
SCHEMBL3734053 0.83 NR4A2 (0.58) NR4A2KDM4EASH1LATP4AATP4B
SCHEMBL1646920 0.82 KDM4E (0.49) NR4A2KDM4EKDM6BKDM5CKDM4C
SCHEMBL1646960 0.81 KDM4E (0.48) NR4A2KDM4EKDM6BKDM5CKDM4C
SCHEMBL1647166 0.79 KDM4E (0.52) NR4A2KDM4EKDM6BKDM5CKDM4C
SCHEMBL1647163 0.79 KDM4E (0.52) NR4A2KDM4EKDM6BKDM5CKDM4C
SCHEMBL26619312 0.76 KDM4E (0.50) NR4A2KDM4EKDM6BKDM5CKDM4C
SCHEMBL4164843 0.75 NPC1 (0.63) NR4A2KDM4EASH1LGPR84CREBBP
SCHEMBL1646994 0.75 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31464238 0.75 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A

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 5 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-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

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 2534/4885KDM4E 2194/4885KDM6B 1005/4885

“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.