SCHEMBL21243395

SCHEMBL21243395

O=C(O)NC1CCCC1c1nnc(-c2ccccc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
TSHR P16473 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL21261798 0.85 ALDH1A1 (0.48) RAB9AALDH1A1
SCHEMBL25497381 0.83 KMT2A (0.46) KMT2A
SCHEMBL25497380 0.80 HDAC4 (0.46) KMT2A
SCHEMBL25510067 0.77 KMT2A (0.35) RAB9AKMT2AGAAALDH1A1KCNJ6
SCHEMBL21261799 0.73 NPC1 (0.47) MAPK1NPC1RAB9ALMNA
SCHEMBL15591888 0.72 SSTR4 (0.67) SSTR4MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL25497467 0.69 TSHR (0.39) NPC1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL25497336 0.67 USP30 (0.39) NPC1RAB9AALDH1A1TSHR
SCHEMBL25497576 0.67 HDAC8 (0.34) RAB9AADORA1SMN1; SMN2ALDH1A1LMNA
SCHEMBL21986316 0.66 ALDH1A1 (0.55) SSTR4RAB9AMEN1KMT2ASMN1; SMN2

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 3 patents. 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
US-11617799-B2 Cleavable tetrazine used in bio-orthogonal drug activation TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-04-04 US disclosed
US-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2019-08-15 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 (3 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-20190247513-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD SSTR4 1468/4885MAPK1 3262/4885NPC1 4745/4885
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD SSTR4 1395/4885MAPK1 3370/4885NPC1 4716/4885
US-11617799-B2 Cleavable tetrazine used in bio-orthogonal drug activation KIT, TPSB2, BTD SSTR4 1395/4885MAPK1 3370/4885NPC1 4716/4885

“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.