SCHEMBL1648927

SCHEMBL1648927

COC(=O)c1cc(C)nc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.45
BPTF Q12830 1/20 0.44
KDR P35968 1/20 0.43
PTGS2 P35354 1/20 0.43
FYN P06241 1/20 0.43
EGFR P00533 1/20 0.43
ABL1 P00519 1/20 0.43
POLQ O75417 1/20 0.42
MAOB P27338 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ATR Q13535 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 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
SCHEMBL10819455 0.85 MAOA (0.46) CDK8BPTFKDRPTGS2FYN
SCHEMBL31464238 0.82 KDM4E (0.55) CDK8KDRPTGS2FYNEGFR
SCHEMBL1646994 0.82 KDM4E (0.55) CDK8KDRPTGS2FYNEGFR
SCHEMBL3790448 0.79 CDK8 (0.54) CDK8KDRPTGS2ABL1ATR
SCHEMBL732816 0.78 HSD17B1 (0.52) CDK8KDRPTGS2EGFRABL1
SCHEMBL1647066 0.78 NR4A2 (0.42) ALDH1A1
SCHEMBL29377304 0.77 TUBB4A (0.58) CDK8KDRABL1MAOBTAS1R3
SCHEMBL103794 0.77 TUBB4A (0.58) CDK8KDRABL1MAOBTAS1R3
SCHEMBL9288795 0.77 KDM4E (0.55) KDM4EALDH1A1
SCHEMBL28496947 0.76 ALDH1A1 (0.52) KDM4EALDH1A1

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 CDK8 2737/4885BPTF 3270/4885KDR 4380/4885

“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.