SCHEMBL10044915

SCHEMBL10044915

CCN(CC)Cc1cn(Cc2ccccc2)nn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.69
CYP19A1 P11511 9/20 0.66
SIGMAR1 Q99720 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HRH4 Q9H3N8 1/20 0.55
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL230368 0.91 HSP90AB1 (0.82) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL30959784 0.89 HSP90AB1 (0.80) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL21293881 0.89 HSP90AB1 (0.80) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL17104470 0.88 CYP19A1 (0.67) HSP90AB1CYP19A1SIGMAR1NPC1RAB9A
SCHEMBL15425743 0.86 CYP19A1 (0.67) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL29055929 0.84 CYP19A1 (0.65) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL18028297 0.82 HSP90AB1 (0.70) HSP90AB1CYP19A1NPC1RAB9A
SCHEMBL15014123 0.82 CYP19A1 (0.76) HSP90AB1CYP19A1NPC1RAB9AHRH4
SCHEMBL28923930 0.82 CYP19A1 (0.58) HSP90AB1CYP19A1SIGMAR1NPC1RAB9A
Sulfuric Acid SCHEMBL28657977 0.81 HSP90AB1 (0.68) HSP90AB1CYP19A1NPC1RAB9AHRH4

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
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-9302997-B2 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-05 US disclosed
EP-2226316-B1 Copper-catalysed ligation of azides and acetylenes SCRIPPS RESEARCH INST (US) 2016-01-13 EP 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-20150031895-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2015-01-29 US disclosed
US-8877939-B2 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2014-11-04 US disclosed
US-20140066632-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-03-06 US disclosed
US-8580970-B2 Copper-catalysed ligation of azides and acetylenes THE SCRIPPS RESEARCH INSTITUTE (US) 2013-11-12 US disclosed
US-20120165542-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-06-28 US disclosed
EP-2226316-A1 Copper-catalysed ligation of azides and acetylenes The Scripps Research Institute (US) 2010-09-08 EP 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-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 (6 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 HSP90AB1 4428/4885CYP19A1 1934/4885SIGMAR1 3249/4885
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 HSP90AB1 3258/4885CYP19A1 3766/4885SIGMAR1 713/4885
US-20120165542-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES AOC3, ADH1C, AOC2 HSP90AB1 2943/4885CYP19A1 2969/4885SIGMAR1 1205/4885
US-20160214946-A1 CATALYSED LIGATION OF AZIDES AND ACETYLENES AOC3, AOC2, KARS1 HSP90AB1 4081/4885CYP19A1 1159/4885SIGMAR1 2268/4885
US-20150031895-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES AOC3, SOD1, AOC2 HSP90AB1 3791/4885CYP19A1 2247/4885SIGMAR1 2812/4885
US-20140066632-A1 COPPER-CATALYSED LIGATION OF AZIDES AND ACETYLENES AOC3, SOD1, AOC2 HSP90AB1 3791/4885CYP19A1 2247/4885SIGMAR1 2812/4885

“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.