SCHEMBL19491276

SCHEMBL19491276

NCc1cn(-c2cc3ccc(O)cc3oc2=O)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 1/20 0.47
▸ ESRRA P11474 1/20 0.47
▸ ADRA1A P35348 1/20 0.46
▸ APP P05067 3/20 0.45
▸ CA9 Q16790 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ HSD17B3 P37058 1/20 0.44
▸ MIF P14174 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ S1PR4 O95977 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL12444682 0.84 ESRRB (0.48) ESRRBESRRAADRA1AAPPCA9
SCHEMBL23579530 0.82 APP (0.47) ESRRBESRRAADRA1AAPPCA9
SCHEMBL15782525 0.78 APP (0.43) ESRRBESRRAADRA1AAPPCA9
SCHEMBL21626102 0.78 APP (0.43) ESRRBESRRAADRA1AAPPCA9
SCHEMBL21626064 0.78 ESRRB (0.44) ESRRBESRRAADRA1AAPPCA9
SCHEMBL17231342 0.78 APP (0.43) ESRRBESRRAADRA1AAPPCA9
SCHEMBL21626070 0.78 APP (0.43) ESRRBESRRAADRA1AAPPCA9
SCHEMBL13315790 0.78 MIF (0.54) HSD17B3MIFALDH1A1HPGDESR2
SCHEMBL21626101 0.76 ADRA1A (0.42) ESRRBESRRAADRA1AAPPCA9
SCHEMBL15782494 0.76 ADRA1A (0.42) ESRRBESRRAADRA1AAPPCA9

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
US-11167277-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-11-09 — — US disclosed
US-20200398262-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-24 — — US disclosed
US-10758895-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-09-01 — — US disclosed
US-20170297008-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCACATION (US) 2017-10-19 — — US disclosed
US-20170297008-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCACATION (US) 2017-10-19 — — 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-20200398262-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS RNGTT, AOC2, CTRC ESRRB 4485/4885ESRRA 4101/4885ADRA1A 2812/4885
US-10758895-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions RNGTT, AOC2, CTRC ESRRB 4485/4885ESRRA 4101/4885ADRA1A 2812/4885
US-11167277-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions RNGTT, AOC2, CTRC ESRRB 4485/4885ESRRA 4101/4885ADRA1A 2812/4885
US-20170297008-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS RNGTT, AOC2, CTRC ESRRB 4485/4885ESRRA 4101/4885ADRA1A 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.

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