SCHEMBL16616006

SCHEMBL16616006

CC(C)(C)OC(=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
ATR Q13535 1/20 0.44
AKT1 P31749 1/20 0.44
GRM2 Q14416 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPN P05981 1/20 0.42
CYP17A1 P05093 1/20 0.42
BRD4 O60885 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL15322811 0.86 NAMPT (0.50) NAMPTL3MBTL1HDAC1HDAC6GAA
SCHEMBL25440112 0.84 NAMPT (0.51) NAMPTL3MBTL1HDAC1HDAC6GAA
SCHEMBL25440138 0.83 NAMPT (0.47) NAMPTL3MBTL1HDAC1HDAC6GAA
SCHEMBL26085366 0.83 CA1 (0.52) NAMPTL3MBTL1HDAC1SDCBPSDC2
SCHEMBL30262636 0.83 S1PR1 (0.41) NAMPTHDAC1HDAC6GAAMAPT
SCHEMBL3180689 0.82 L3MBTL1 (0.61) NAMPTL3MBTL1HDAC1HDAC6GAA
SCHEMBL26054956 0.82 NAMPT (0.47) NAMPTL3MBTL1HDAC1HDAC6GAA
SCHEMBL25367309 0.82 NAMPT (0.47) NAMPTL3MBTL1HDAC1HDAC6GAA
SCHEMBL18237012 0.82 CA1 (0.51) NAMPTHDAC1GAASDCBPSDC2
SCHEMBL29383217 0.82 CA1 (0.51) NAMPTHDAC1GAASDCBPSDC2

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
EP-4199970-B1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2025-10-15 EP disclosed
WO-2024210956-A1 BIOGEL, COMPOSITIONS AND METHODS OF USE THE SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-10 WO disclosed
US-20230310643-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2023-10-05 US disclosed
US-20230310643-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2023-10-05 US disclosed
US-20230310643-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2023-10-05 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
EP-4199970-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS Rigshospitalet (DK) 2023-06-28 EP disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 US disclosed
WO-2022038183-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2022-02-24 WO disclosed
WO-2022038183-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS RIGSHOSPITALET (DK) 2022-02-24 WO disclosed
EP-3539955-B1 PROCESS FOR THE PREPARATION OF TETRAZINES CENTRE NAT RECH SCIENT (FR) 2021-07-28 EP disclosed
EP-3539955-A1 METHOD FOR PREPARING TETRAZINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-18 EP disclosed
US-9533957-B2 Tetrazines and method of synthezising the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-03 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 NAMPT 1678/4885L3MBTL1 4082/4885HDAC1 1927/4885
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME NBAS, NAA15, TALDO1 NAMPT 2582/4885L3MBTL1 4096/4885HDAC1 1064/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 NAMPT 1678/4885L3MBTL1 4082/4885HDAC1 1927/4885
US-20230310643-A1 EXTRACORPOREAL CLEARING TRAPS BASED ON INVERSE ELECTRON DEMAND DIELS-ALDER CYCLOADDITION FOR (PRE)-TARGETED THERAPY AND DIAGNOSTICS ECE1, ELANE, EDNRA NAMPT 1438/4885L3MBTL1 2475/4885HDAC1 2211/4885

“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.