SCHEMBL1647005

SCHEMBL1647005

CCOC(=O)c1cn(-c2ccc3[nH]ccc3c2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
NPC1 O15118 8/20 0.47
KDM4E B2RXH2 4/20 0.47
MAOA P21397 1/20 0.45
ALDH1A1 P00352 7/20 0.44
HPGD P15428 2/20 0.44
AURKA O14965 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 5/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 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
SCHEMBL1647800 0.86 KDM4E (0.48) KDRNPC1KDM4EMAOAALDH1A1
SCHEMBL1647063 0.80 MAOA (0.50) KDRNPC1KDM4EMAOAALDH1A1
SCHEMBL6889332 0.79 GABRA1 (0.45) NPC1KDM4EALDH1A1HPGDNPSR1
SCHEMBL1647154 0.79 GABRA1 (0.43) NPC1KDM4EALDH1A1HPGDNPSR1
SCHEMBL29992457 0.78 MAOA (0.46) KDRNPC1KDM4EMAOAALDH1A1
SCHEMBL27167505 0.78 MAOA (0.46) KDRNPC1KDM4EMAOAALDH1A1
SCHEMBL1645976 0.78 GABRA1 (0.43) NPC1KDM4EALDH1A1HPGDNPSR1
SCHEMBL29332783 0.77 HTT (0.53) NPC1KDM4EALDH1A1HPGDNPSR1
SCHEMBL5232116 0.76 KDR (0.41) KDRNPC1KDM4EMAOAALDH1A1
SCHEMBL5232109 0.76 KDR (0.41) KDRNPC1KDM4EMAOAALDH1A1

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 9 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-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
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 KDR 4380/4885NPC1 1843/4885KDM4E 2194/4885

“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.