SCHEMBL6154370

SCHEMBL6154370

CCOC(=O)C(C(=O)OCC)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
NAMPT P43490 1/20 0.46
CDC7 O00311 5/20 0.43
DBF4 Q9UBU7 5/20 0.43
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL27496395 0.91 MMP8 (0.51) MMP8NAMPTCDC7DBF4TSHR
SCHEMBL23832254 0.91 MMP8 (0.47) MMP8NAMPTCDC7DBF4TSHR
SCHEMBL5141949 0.88 MMP8 (0.45) MMP8NAMPTCDC7DBF4TSHR
SCHEMBL271585 0.86 MMP8 (0.59) MMP8TSHRKMT2AMEN1NPC1
SCHEMBL5143810 0.85 MMP8 (0.47) MMP8NAMPTCDC7DBF4TSHR
SCHEMBL13228075 0.84 NAMPT (0.44) MMP8NAMPTKMT2AMEN1NPC1
SCHEMBL29705753 0.84 ALDH1A1 (0.51) MMP8NAMPTTSHRKMT2AMEN1
SCHEMBL755729 0.83 CYP19A1 (0.54) NAMPTCDC7DBF4TSHRKMT2A
SCHEMBL17086147 0.81 NAMPT (0.44) MMP8NAMPTCDC7DBF4KMT2A
SCHEMBL28532831 0.81 CYP19A1 (0.49) NAMPTCDC7DBF4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
CN-104892528-A A preparing method of 2-thiobarbituric acid derivatives UNIV SHANGHAI ENG SCIENCE 2015-09-09 CN disclosed
EP-1343786-B1 NOVEL PYRIDINE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-06-29 EP disclosed
EP-1499369-A1 STENTS CONTAINING PYRIDINE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2005-01-26 EP disclosed
CN-1555374-A Novel pyridine substituted pyrazolopyridine derivatives 2004-12-15 CN disclosed
US-6693102-B2 CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-02-17 US disclosed
WO-2003089024-A1 STENTS CONTAINING PYRIDINE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-10-30 WO disclosed
WO-2003086407-A1 USE OF STIMULATORS OF SOLUBLE GUANYLATE CYCLASE FOR TREATING GLAUCOMA BAYER HEALTHCARE AG (DE) 2003-10-23 WO disclosed
EP-1343786-A1 NOVEL PYRIDINE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-09-17 EP disclosed
US-20020173514-A1 Pyridine-substituted pyrazolopyridine derivatives BAYER HEALTHCARE AG (DE) 2002-11-21 US disclosed
WO-2002042301-A1 NOVEL PYRIDINE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP 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 (3 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 MMP8 4481/4885NAMPT 886/4885CDC7 3525/4885
US-20020173514-A1 Pyridine-substituted pyrazolopyridine derivatives GUCY1A1, GUCY1A2, GUCY1B1 MMP8 3120/4885NAMPT 2698/4885CDC7 2356/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 MMP8 4481/4885NAMPT 886/4885CDC7 3525/4885

“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.