SCHEMBL26329031

SCHEMBL26329031

COc1ccc(-c2nnc(CNC(=O)OC(C)(C)C)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
HSD17B10 Q99714 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GFER P55789 1/20 0.42
CTSL P07711 1/20 0.42
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ADORA3 P0DMS8 5/20 0.40
ADORA2B P29275 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL25439945 0.87 NAMPT (0.41) L3MBTL1KDM4EMAPTLMNAALDH1A1
SCHEMBL26328902 0.87 MAPT (0.42) L3MBTL1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL26328906 0.86 NAMPT (0.41) L3MBTL1KDM4EEPHX2NR1H4ADORA3
SCHEMBL25497278 0.85 HDAC1 (0.47) CTSL
SCHEMBL28975596 0.82 HDAC1 (0.46) L3MBTL1EPHX2NR1H4LMNATSHR
SCHEMBL25440093 0.82 RAB9A (0.47) HSD17B10TP53KDM4EMAPTNPC1
SCHEMBL13977598 0.80 KDM4E (0.49) L3MBTL1GFERKDM4EMEN1KMT2A
SCHEMBL26328914 0.79 ADORA2A (0.39) L3MBTL1KDM4EADORA3ADORA2BSMN1; SMN2
SCHEMBL7652554 0.78 NPC1 (0.58) L3MBTL1MAPTNPC1RAB9AMEN1
SCHEMBL25367309 0.78 NAMPT (0.47) L3MBTL1MAPTRECQLTDP1

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 DYRK1A 385/4885HSD17B10 616/4885L3MBTL1 4082/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 DYRK1A 385/4885HSD17B10 616/4885L3MBTL1 4082/4885

“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.