SCHEMBL26328883

SCHEMBL26328883

CC(C)(C)OC(=O)Nc1ccc(-c2nncnn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.55
PSMB8 P28062 1/20 0.52
NAMPT P43490 1/20 0.52
MAP4K4 O95819 1/20 0.51
PRKDC P78527 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
BCL2 P10415 3/20 0.43
BECN1 Q14457 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 2/20 0.43
PRMT1 Q99873 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HDAC10 Q969S8 1/20 0.42
P2RY14 Q15391 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
SCHEMBL26328838 0.85 CYP17A1 (0.55) CYP17A1PSMB8NAMPTMAP4K4CD274
SCHEMBL20865536 0.82 CYP17A1 (0.68) CYP17A1PSMB8NAMPTMAP4K4PRKDC
SCHEMBL26330221 0.82 CYP17A1 (0.52) CYP17A1PSMB8NAMPTMAP4K4PRKDC
SCHEMBL13055402 0.80 CYP17A1 (0.59) CYP17A1PSMB8NAMPTMAP4K4
SCHEMBL29582523 0.80 CYP17A1 (0.40) CYP17A1PSMB8NAMPTMAP4K4HDAC1
SCHEMBL16616006 0.79 NAMPT (0.53) CYP17A1NAMPTHDAC1HDAC6MAPT
SCHEMBL29583356 0.79 CYP17A1 (0.59) CYP17A1MAP4K4PRKDC
SCHEMBL3360413 0.77 CYP17A1 (0.63) CYP17A1PSMB8NAMPTMAP4K4CD274
SCHEMBL4759920 0.77 CYP17A1 (0.79) CYP17A1PSMB8NAMPTMAP4K4CD274
SCHEMBL18570243 0.76 CYP17A1 (0.61) CYP17A1PSMB8NAMPTMAP4K4CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 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 (2 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 CYP17A1 404/4885PSMB8 1717/4885NAMPT 1678/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 CYP17A1 404/4885PSMB8 1717/4885NAMPT 1678/4885

“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.