SCHEMBL22043754

SCHEMBL22043754

Nc1ccc(-c2nncnn2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ KIT P10721 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36

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
SCHEMBL22043741 0.77 KDM4E (0.44) MAPTKDM4ETP53HDAC1HDAC6
SCHEMBL22044253 0.77 KDM4E (0.49) MAPTHSD17B10LMNACYP2C19ESR2
SCHEMBL22043740 0.77 MAPT (0.40) TDP1MAPTHSD17B10LMNACYP2C9
SCHEMBL24334730 0.77 KMO (0.43) MAPTKDM4ETP53HDAC6FEN1
SCHEMBL22043776 0.77 MAPT (0.40) TDP1MAPTHSD17B10LMNACYP2C9
SCHEMBL22044401 0.77 LOXL2 (0.38) TDP1MAPTHSD17B10LMNACYP2C9
SCHEMBL29924944 0.76 ALDH1A1 (0.62) ALDH1A1KITTDP1MAPTHSD17B10
SCHEMBL1099003 0.76 ALDH1A1 (0.62) ALDH1A1KITTDP1MAPTHSD17B10
SCHEMBL22130158 0.74 ALDH1A1 (0.45) ALDH1A1KITTDP1MAPTHSD17B10
SCHEMBL22044443 0.74 KIF11 (0.51) KIF11

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 4 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-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-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 (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-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING RTN3, RXFP3, TAAR5 ALDH1A1 1634/4885KIT 926/4885TDP1 445/4885

“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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