SCHEMBL1646145

SCHEMBL1646145

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
HASPIN Q8TF76 1/20 0.42
NR4A2 P43354 3/20 0.41
RXFP3 Q9NSD7 1/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 3/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 4/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1646148 1.00 CCNT1 (0.42) CCNT1CDK9HASPINNR4A2RXFP3
SCHEMBL1646149 1.00 CCNT1 (0.42) CCNT1CDK9HASPINNR4A2RXFP3
SCHEMBL1647790 0.88 ALDH1A1 (0.47) CCNT1CDK9HASPINNR4A2MAPT
SCHEMBL1647166 0.84 KDM4E (0.52) CCNT1CDK9HASPINNR4A2RXFP3
SCHEMBL1647163 0.84 KDM4E (0.52) CCNT1CDK9HASPINNR4A2RXFP3
SCHEMBL1647066 0.79 NR4A2 (0.42) CCNT1CDK9HASPINNR4A2ALDH1A1
SCHEMBL10819454 0.76 ALDH1A1 (0.44) CCNT1CDK9HASPINMAPTALDH1A1
SCHEMBL1648927 0.74 CDK8 (0.45) ALDH1A1KDM4E
SCHEMBL1646920 0.72 KDM4E (0.49) CCNT1CDK9HASPINNR4A2ALDH1A1
SCHEMBL15330852 0.70 ERN1 (0.59) NR4A2MAPTALDH1A1KDM4EGPR84

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 CCNT1 4057/4885CDK9 1873/4885HASPIN 3125/4885

“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.