SCHEMBL22043752

SCHEMBL22043752

COc1ccc(-c2nncnn2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP17A1 P05093 1/20 0.48
▸ MAPK1 P28482 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ PTGS2 P35354 4/20 0.43
▸ PTGS1 P23219 2/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL24022773 0.81 MAPT (0.55) KDM4EMAPTTP53PDGFRBPDGFRA
SCHEMBL22044395 0.79 KDM4E (0.53) KDM4EMAPTTP53PDGFRBPDGFRA
SCHEMBL9464193 0.79 CYP17A1 (0.61) KDM4EMAPTPDGFRBPDGFRAALDH1A1
SCHEMBL19876623 0.77 PDGFRB (0.55) KDM4EMAPTPDGFRBPDGFRAALDH1A1
SCHEMBL22043741 0.77 KDM4E (0.44) KDM4EMAPTTP53PTGS2ERN1
SCHEMBL5031343 0.75 RAB9A (0.57) KDM4EMAPTPDGFRBPDGFRAALDH1A1
SCHEMBL8656197 0.74 CYP17A1 (0.56) KDM4EMAPTPDGFRBPDGFRAALDH1A1
SCHEMBL2860140 0.73 PDGFRB (0.55) KDM4EMAPTPDGFRBPDGFRAALDH1A1
SCHEMBL22043784 0.73 NPC1 (0.43) KDM4EMAPTTP53ALDH1A1RAB9A
SCHEMBL22043776 0.73 MAPT (0.40) KDM4EMAPTTP53LMNA

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 10 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
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
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 3148/4885MAPT 985/4885TP53 4537/4885
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 KDM4E 4344/4885MAPT 1664/4885TP53 209/4885

“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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