SCHEMBL22043741

SCHEMBL22043741

Cc1ccc(-c2nncnn2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NISCH Q9Y2I1 1/20 0.44
▸ KMO O15229 2/20 0.43
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33

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
SCHEMBL22043756 0.82 MAPT (0.48) KDM4ETP53MAPT
SCHEMBL22044253 0.77 KDM4E (0.49) KDM4ETP53MAPT
SCHEMBL22043776 0.77 MAPT (0.40) KDM4ETP53MAPTKCNH2
SCHEMBL22043754 0.77 ALDH1A1 (0.43) KDM4ETP53MAPTHDAC1HDAC6
SCHEMBL22043740 0.77 MAPT (0.40) KDM4ETP53MAPT
SCHEMBL24334730 0.77 KMO (0.43) KDM4ETP53MAPTKMOHDAC6
SCHEMBL22043755 0.77 KDM4E (0.44) KDM4ETP53MAPT
SCHEMBL22043752 0.77 KDM4E (0.53) KDM4ETP53MAPTERN1PTGS2
SCHEMBL12377626 0.76 NISCH (0.52) NISCHKMOHDAC1HDAC6AKR1C3
SCHEMBL2560523 0.74 NISCH (0.49) NISCHKMOHDAC1HDAC6AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887359-B1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING UNIV COPENHAGEN (DK) 2026-05-06 — — EP disclosed
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
EP-4149931-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2023-03-22 — — EP disclosed
US-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2022-04-21 — — 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
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
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
EP-3887359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2021-10-06 — — EP disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 — — WO disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 — — WO 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-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING RTN3, RXFP3, TAAR5 KDM4E 3148/4885TP53 4537/4885MAPT 985/4885
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 KDM4E 4344/4885TP53 209/4885MAPT 1664/4885

“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