SCHEMBL25439850

SCHEMBL25439850

O=C(O)Nc1ccc(-c2nncnn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ PTPN1 P18031 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ PRNP P04156 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL17192528 0.81 KDM4E (0.45) MAPTPTPN1KDM4ETP53MEN1
SCHEMBL31565170 0.78 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL28386018 0.77 SMN1; SMN2 (0.61) MAPTPTPN1KDM4ETP53ALDH1A1
SCHEMBL15662384 0.76 TP53 (0.52) MAPTKDM4ETP53ALDH1A1HPGD
SCHEMBL25440079 0.76 MAPT (0.41) MAPTPTPN1KDM4EMEN1KMT2A
SCHEMBL26328883 0.76 CYP17A1 (0.55) MAPTKDM4ETP53
SCHEMBL21372065 0.74 MAPT (0.65) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL10778839 0.74 SMN1; SMN2 (0.52) MAPTPTPN1TP53KMT2ASMN1; SMN2
SCHEMBL21994271 0.74 ABCB1 (0.44) KDM4EALDH1A1SMN1; SMN2POLBKIF11
SCHEMBL22154712 0.72 MAPT (0.53) MAPTKDM4ETP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 MAPT 1269/4885PTPN1 3239/4885KDM4E 1634/4885

“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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