SCHEMBL21022513

SCHEMBL21022513

[N-]=[N+]=NCOC1CC(n2cc(C#CCNC(=O)COCCOC(COc3cccc(C(=O)NCCN)c3)N=[N+]=[N-])c3c(N)ncnc32)OC1COP(=O)(O)OP(=O)(O)CP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ P2RX1 P51575 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ SRC P12931 1/20 0.30

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
SCHEMBL14806825 0.95 CA2 (0.34) CA2P2RX3
SCHEMBL17523546 0.95 CA2 (0.34) CA2P2RX3
SCHEMBL14820596 0.95 CA2 (0.34) CA2P2RX3
SCHEMBL24518381 0.93 CA2 (0.34) CA2
SCHEMBL20088485 0.92 CA2 (0.36) CA2
SCHEMBL25541258 0.92 CA2 (0.33) CA2P2RX3
SCHEMBL17227477 0.91 CA2 (0.33) CA2
SCHEMBL21123041 0.90 CA2 (0.35) CA2P2RX1P2RX3
SCHEMBL17636632 0.90 CA2 (0.32) CA2
SCHEMBL13891880 0.89 CA2 (0.32) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230734-B2 Modified nucleotide linkers ILLUMINA CAMBRIDGE LIMITED (GB) 2022-01-25 — — US disclosed
US-20190153529-A1 MODIFIED NUCLEOTIDE LINKERS ILLUMINA CAMBRIDGE LIMITED (GB) 2019-05-23 — — 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 (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-20190153529-A1 MODIFIED NUCLEOTIDE LINKERS RNGTT, DTYMK, DPYD CA2 4550/4885ALDH1A1 2102/4885P2RX1 1221/4885
US-11230734-B2 Modified nucleotide linkers RNGTT, DTYMK, DPYD CA2 4550/4885ALDH1A1 2102/4885P2RX1 1221/4885

“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