SCHEMBL1646994

SCHEMBL1646994

COC(=O)c1ccnc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
CDK8 P49336 1/20 0.54
JMJD6 Q6NYC1 1/20 0.49
ALDH1A1 P00352 1/20 0.47
KDR P35968 1/20 0.46
ABL1 P00519 2/20 0.45
ATR Q13535 1/20 0.44
PTGS2 P35354 1/20 0.43
FYN P06241 1/20 0.43
SYK P43405 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
EGFR P00533 1/20 0.43
MAOB P27338 1/20 0.42
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42

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
SCHEMBL31464238 1.00 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3790448 0.96 CDK8 (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3788730 0.89 KDM4E (0.46) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL1646106 0.86 JMJD6 (0.55) CDK8JMJD6KDR
SCHEMBL10819449 0.85 CDK8 (0.50) KDM4CCDK8KDRABL1PTGS2
SCHEMBL20476711 0.85 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL1648927 0.82 CDK8 (0.45) KDM4ECDK8ALDH1A1KDRABL1
SCHEMBL29377304 0.80 TUBB4A (0.58) CDK8KDRABL1MAOB
SCHEMBL103794 0.80 TUBB4A (0.58) CDK8KDRABL1MAOB
SCHEMBL29141528 0.80 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208103-A1 COMPOUND CAPABLE OF BEING USED FOR GOUT 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
CN-116836154-A Compounds useful for gout 江苏新元素医药科技有限公司 2023-10-03 CN disclosed
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
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 KDM4E 2194/4885KDM4C 1968/4885KDM6B 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.