SCHEMBL16562887

SCHEMBL16562887

CC(C)(C)OC(=O)Nc1ccc(CN=[N+]=[N-])nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ MAPKAPK2 P49137 10/20 0.42
▸ CYP17A1 P05093 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38

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
SCHEMBL17066875 0.89 AURKB (0.41) NAMPTMAPKAPK2HDAC8
SCHEMBL29391711 0.87 CA1 (0.44) HDAC8MAPK14
SCHEMBL30921556 0.85 CA1 (0.53) HDAC8
SCHEMBL25381461 0.81 CYP17A1 (0.52) NAMPTMAPKAPK2CYP17A1HDAC8MAPK14
SCHEMBL17247383 0.80 MAPKAPK2 (0.53) NAMPTMAPKAPK2CYP17A1MAPK14PSMB8
SCHEMBL853159 0.80 NAMPT (0.49) NAMPTMAPKAPK2CYP17A1MAPK14PSMB8
SCHEMBL29850092 0.80 NAMPT (0.49) NAMPTMAPKAPK2CYP17A1MAPK14PSMB8
SCHEMBL17060912 0.80 P4HTM (0.37) HDAC8
SCHEMBL17060910 0.80 P4HTM (0.37) HDAC8
SCHEMBL925018 0.79 NAMPT (0.48) NAMPTMAPKAPK2CYP17A1PSMB8MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11067580-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2021-07-20 — — US disclosed
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation 2020-10-22 — — US disclosed
US-10648985-B2 Compounds and methods for conjugation of biomolecules Life Technologies Corporation (US) 2020-05-12 — — US disclosed
US-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation 2019-03-14 — — US disclosed
EP-2966061-B1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIFE TECHNOLOGIES CORP (US) 2017-05-03 — — EP disclosed
CN-103502218-B Compounds and methods for for conjugating biomolecules 生命科技公司 2016-08-17 — — CN disclosed
EP-2966061-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation (US) 2016-01-13 — — EP disclosed
EP-2681196-B1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIFE TECHNOLOGIES CORP (US) 2015-09-09 — — EP disclosed
US-20150072396-A1 Compounds and Methods for Conjugation of Biomolecules Life Technologies Corporation (US) 2015-03-12 — — US disclosed
CN-103502218-A Compounds and methods for conjugation of biomolecules LIFE TECHNOLOGIES CORP 2014-01-08 — — CN disclosed
WO-2012121973-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES Life Technologies Corporation (US) 2012-09-13 — — 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-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIG3, LIG1, HLCS NAMPT 2829/4885MAPKAPK2 3506/4885CYP17A1 1722/4885
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS NAMPT 2829/4885MAPKAPK2 3506/4885CYP17A1 1722/4885
US-11067580-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS NAMPT 2829/4885MAPKAPK2 3506/4885CYP17A1 1722/4885
US-10648985-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS NAMPT 2829/4885MAPKAPK2 3506/4885CYP17A1 1722/4885
US-20150072396-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS NAMPT 2829/4885MAPKAPK2 3506/4885CYP17A1 1722/4885

“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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