SCHEMBL24022799

SCHEMBL24022799

CNC(=O)c1ccc(-c2nncnn2)cc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ NEU3 Q9UQ49 1/20 0.34
▸ MET P08581 2/20 0.33
▸ PLK1 P53350 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NR4A2 P43354 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31

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
SCHEMBL24022801 0.84 PLK1 (0.39) TP53CASP1KDM4EMAPTMKNK1
SCHEMBL24022756 0.82 GAA (0.46) METGAAHDAC6PIK3CAMTOR
SCHEMBL24022829 0.80 CASP1 (0.36) TP53CASP1KDM4EMAPTMKNK1
SCHEMBL24334466 0.76 PLK1 (0.53) TP53KDM4EMAPTMKNK1MKNK2
SCHEMBL30262680 0.74 HDAC8 (0.53) MKNK1MKNK2NR4A2HDAC8HDAC6
SCHEMBL24022840 0.73 CA1 (0.48) TP53KDM4EMAPTHDAC6HDAC2
SCHEMBL24022748 0.73 THRB (0.34) TP53KDM4EMAPTMKNK1MKNK2
SCHEMBL22043755 0.71 KDM4E (0.44) TP53KDM4EMAPTMTOR
SCHEMBL12124270 0.71 KMT2A (0.41) TP53NEU3PLK1GAA
SCHEMBL24333878 0.71 ALOX5AP (0.40) NEU3THRBGAAMTORJAK2

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-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET [DK]/[DK] (DK) 2024-08-29 — — US disclosed
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
EP-3909944-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2021-11-17 — — EP 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-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 TP53 209/4885CASP1 1441/4885KDM4E 4344/4885

“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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