SCHEMBL24022748

SCHEMBL24022748

CNC(=O)c1cc(I)cc(-c2nncnn2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CDK8 P49336 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ PLK1 P53350 5/20 0.31
▸ CCNC P24863 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
SCHEMBL24022747 0.81 MAP4K4 (0.49) THRBHSD17B1HSD17B2HDAC8HDAC6
SCHEMBL24022824 0.79 DHODH (0.34) MAP4K4MKNK1MKNK2SMN1; SMN2KDM4E
SCHEMBL15284299 0.77 HDAC8 (0.50) THRBHDAC8HDAC6HDAC2BRD4
SCHEMBL30262680 0.76 HDAC8 (0.53) HDAC8HDAC6MAP4K4CDK8MKNK1
SCHEMBL24334466 0.75 PLK1 (0.53) THRBHDAC8HDAC6HDAC2HPGD
SCHEMBL24022757 0.74 MAPT (0.42) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL24022799 0.73 TP53 (0.36) THRBHDAC8HDAC6HDAC2MKNK1
SCHEMBL22044461 0.71 KDM4E (0.37) KDM4ETP53MAPT
SCHEMBL6184470 0.69 TUBB4A (0.49) HDAC8HDAC6HDAC2HPGDALDH1A1
SCHEMBL24022801 0.68 PLK1 (0.39) THRBHDAC8HDAC6HDAC2HPGD

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 THRB 125/4885HSD17B1 1973/4885HSD17B2 3075/4885

“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.

Send feedback