SCHEMBL25497271

SCHEMBL25497271

CN(Cc1nnc(-c2ccccc2)nn1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
SLC6A4 P31645 4/20 0.44
GLS O94925 1/20 0.41
GBA1 P04062 1/20 0.40
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
TSPO P30536 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
HPGDS O60760 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
PAX8 Q06710 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 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
SCHEMBL25497561 0.90 HTR2C (0.38) HTR2CSLC6A4GLSGBA1CACNA1G
SCHEMBL25497339 0.87 GBA1 (0.43) HTR2CSLC6A4GLSGBA1TSPO
SCHEMBL25497563 0.87 CACNA1G (0.37) HTR2CSLC6A4GLSGBA1CACNA1G
SCHEMBL25497773 0.85 TSPO (0.43) TSPONPC1MAPK1RAB9AABHD6
SCHEMBL25497414 0.84 HDAC3 (0.43) TSPONPC1MAPK1RAB9AHDAC3
SCHEMBL25497411 0.84 MEN1 (0.39) NPC1MAPK1RAB9AHDAC3HDAC1
SCHEMBL25497560 0.84 CACNA1G (0.41) HTR2CSLC6A4GLSGBA1CACNA1G
SCHEMBL25497562 0.84 MCHR1 (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL25497407 0.83 HDAC3 (0.40) TSPONPC1MAPK1RAB9AHDAC3
SCHEMBL25497413 0.83 TSHR (0.45) MAPK1HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 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 (1 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-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD HTR2C 874/4885SLC6A4 2247/4885GLS 3702/4885

“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.