SCHEMBL17066875

SCHEMBL17066875

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 3/20 0.41
▸ EGFR P00533 2/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAP2K2 P36507 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SUV39H2 Q9H5I1 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MET P08581 1/20 0.36

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
SCHEMBL29391711 0.90 CA1 (0.44) HDAC8CA1CA2MAPTKDM4E
SCHEMBL16562887 0.89 NAMPT (0.43) HDAC8NAMPTMAPKAPK2
SCHEMBL30921556 0.88 CA1 (0.53) HDAC8HDAC3HDAC1HDAC10HDAC6
SCHEMBL23651894 0.82 AURKB (0.45) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL18653616 0.78 AURKB (0.47) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL15299581 0.77 GABRA5 (0.45) EGFRCA1CA2MAPTKDM4E
SCHEMBL25733684 0.76 AURKB (0.46) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL8693590 0.76 CA1 (0.54) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL17060912 0.75 P4HTM (0.37) HDAC8HDAC3HDAC1HDAC6MAPT
SCHEMBL17060910 0.75 P4HTM (0.37) HDAC8HDAC3HDAC1HDAC6MAPT

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 7 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-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
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 (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-20190079095-A1 COMPOUNDS AND METHODS FOR CONJUGATION OF BIOMOLECULES LIG3, LIG1, HLCS AURKB 813/4885EGFR 2115/4885RAF1 4122/4885
US-20200333351-A1 Compounds and Methods for Conjugation of Biomolecules LIG3, LIG1, HLCS AURKB 813/4885EGFR 2115/4885RAF1 4122/4885
US-11067580-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS AURKB 813/4885EGFR 2115/4885RAF1 4122/4885
US-10648985-B2 Compounds and methods for conjugation of biomolecules LIG3, LIG1, HLCS AURKB 813/4885EGFR 2115/4885RAF1 4122/4885

“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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