SCHEMBL622633

SCHEMBL622633

CCOC(OCC)c1cn(C(C)(C)C)nn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.30

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
SCHEMBL19491268 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL18700890 0.78 MEN1 (0.44) MEN1KMT2A
SCHEMBL18707079 0.76 MEN1 (0.52) MEN1KMT2A
SCHEMBL18706997 0.75 MEN1 (0.42) MEN1KMT2A
SCHEMBL13122520 0.72
SCHEMBL1807941 0.72 MEN1 (0.49) MEN1KMT2A
SCHEMBL30609094 0.70 MEN1 (0.47) MEN1KMT2A
SCHEMBL23119101 0.69
SCHEMBL20644808 0.69
SCHEMBL21311921 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295019-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNI (US) 2013-11-07 US claimed
WO-2012021390-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-02-16 WO claimed
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-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-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-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-9809560-B2 Ligands and methods for labeling biomolecules in vivo ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-11-07 US disclosed
US-9809560-B2 Ligands and methods for labeling biomolecules in vivo ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-11-07 US disclosed
US-9809560-B2 Ligands and methods for labeling biomolecules in vivo ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-11-07 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
US-20130295019-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNI (US) 2013-11-07 US disclosed
US-20130295019-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNI (US) 2013-11-07 US disclosed
US-20130295019-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNI (US) 2013-11-07 US disclosed
WO-2012021390-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-02-16 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 (5 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 MEN1 3749/4885KMT2A 914/4885THRB 1961/4885
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 MEN1 3749/4885KMT2A 914/4885THRB 1961/4885
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 MEN1 3749/4885KMT2A 914/4885THRB 1961/4885
US-20130295019-A1 LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO FABP1, TK1, FABP7 MEN1 2482/4885KMT2A 3388/4885THRB 146/4885
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 MEN1 3749/4885KMT2A 914/4885THRB 1961/4885

“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.