SCHEMBL84637

SCHEMBL84637

c1ccc(Cn2cc(COc3ccccc3)nn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 1.00
HSP90AB1 P08238 1/20 0.62
PTGS2 P35354 1/20 0.62
MGAM O43451 1/20 0.58

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
SCHEMBL14680115 0.90 CYP19A1 (0.82) CYP19A1HSP90AB1PTGS2MGAM
SCHEMBL29054411 0.90 CYP19A1 (0.82) CYP19A1HSP90AB1PTGS2
SCHEMBL12673479 0.86 CYP19A1 (0.76) CYP19A1HSP90AB1PTGS2
SCHEMBL2190939 0.85 HSP90AB1 (0.82) CYP19A1HSP90AB1
SCHEMBL21349159 0.85 CYP19A1 (0.74) CYP19A1HSP90AB1
SCHEMBL14680109 0.85 CYP19A1 (1.00) CYP19A1PTGS2MGAM
SCHEMBL1715655 0.83 CYP19A1 (0.70) CYP19A1HSP90AB1
SCHEMBL30757737 0.80 CYP19A1 (0.67) CYP19A1
SCHEMBL6429043 0.79 CYP19A1 (0.65) CYP19A1HSP90AB1PTGS2
SCHEMBL18579845 0.79 CYP19A1 (0.65) CYP19A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526876-A A kind of preparation method of organic nitrine and Terminal Acetylenes synthesis 1,4- substitution 1,2,3- triazole UNIV LESHAN NORMAL 2019-12-03 CN disclosed
CN-106588788-B The method of one pot of two-step method synthesis 1,2,3- triazole compound 河南师范大学 2019-07-16 CN disclosed
EP-1507769-B2 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES SCRIPPS RESEARCH INST (US) 2017-10-11 EP disclosed
US-20160214946-A1 CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-28 US disclosed
US-20160214946-A1 CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-28 US disclosed
US-9302997-B2 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-05 US disclosed
US-9302997-B2 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-05 US disclosed
US-20150232432-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
US-20150232432-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
US-9040716-B2 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2015-05-26 US disclosed
US-20110105764-A1 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2011-05-05 US disclosed
US-20110105764-A1 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2011-05-05 US disclosed
EP-2226316-A1 Copper-catalysed ligation of azides and acetylenes The Scripps Research Institute (US) 2010-09-08 EP disclosed
US-7763736-B2 Contacting an organic azide and a terminal alkyne with a source of reactive Cu(I) ion for a time sufficient to form by cycloaddition a 1,4-disubstituted 1,2,3-triazole; high yields and high purity THE SCRIPPS RESEARCH INSTITUTE (US) 2010-07-27 US disclosed
US-7763736-B2 Contacting an organic azide and a terminal alkyne with a source of reactive Cu(I) ion for a time sufficient to form by cycloaddition a 1,4-disubstituted 1,2,3-triazole; high yields and high purity THE SCRIPPS RESEARCH INSTITUTE (US) 2010-07-27 US disclosed
EP-1507769-B1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES SCRIPPS RESEARCH INST (US) 2010-05-26 EP disclosed
US-20080214831-A1 Contacting an organic azide and a terminal alkyne with a source of reactive Cu(I) ion for a time sufficient to form by cycloaddition a 1,4-disubstituted 1,2,3-triazole; high yields and high purity THE SCRIPPS RESEARCH INSTITUTE 2008-09-04 US disclosed
US-20080214831-A1 Contacting an organic azide and a terminal alkyne with a source of reactive Cu(I) ion for a time sufficient to form by cycloaddition a 1,4-disubstituted 1,2,3-triazole; high yields and high purity THE SCRIPPS RESEARCH INSTITUTE 2008-09-04 US disclosed
US-7375234-B2 regiospecifically ligates azides and terminal acetylenes to give only 1,4-disubstituted [1,2,3]-triazoles; stepwise Huisgen cycloaddition process catalyzed by copper THE SCRIPPS RESEARCH INSTITUTE (US) 2008-05-20 US disclosed
US-7375234-B2 regiospecifically ligates azides and terminal acetylenes to give only 1,4-disubstituted [1,2,3]-triazoles; stepwise Huisgen cycloaddition process catalyzed by copper THE SCRIPPS RESEARCH INSTITUTE (US) 2008-05-20 US 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 (4 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-20150232432-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES SOD1, AOC3, AOC2 CYP19A1 1934/4885HSP90AB1 4428/4885PTGS2 2311/4885
US-20080214831-A1 Contacting an organic azide and a terminal alkyne with a source of reactive Cu(I) ion for a time sufficient to form by cycloaddition a 1,4-disubstituted 1,2,3-triazole; high yields and high purity AOC3, AOC2, ADH1C CYP19A1 3766/4885HSP90AB1 3258/4885PTGS2 3139/4885
US-20160214946-A1 CATALYSED LIGATION OF AZIDES AND ACETYLENES AOC3, AOC2, KARS1 CYP19A1 1159/4885HSP90AB1 4081/4885PTGS2 2767/4885
US-20110105764-A1 Copper-catalysed ligation of azides and acetylenes AOC3, ADH1C, AOC2 CYP19A1 2969/4885HSP90AB1 2943/4885PTGS2 3282/4885

“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.