SCHEMBL22433068

SCHEMBL22433068

Nc1cc(C(CCN(CCN=O)C23CCC(c4ccccc4)(CC2)[C@H](O)C3)c2ccn(Cc3cccc(O)c3)n2)c2nn[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 15/20 0.56

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
SCHEMBL19364094 0.91 MPO (0.56) MPO
SCHEMBL19363913 0.84 MPO (0.78) MPO
SCHEMBL19358448 0.82 MPO (0.57) MPO
SCHEMBL19358434 0.81 MPO (0.57) MPO
SCHEMBL22433098 0.79 MPO (0.56) MPO
SCHEMBL19364095 0.79 MPO (0.55) MPO
SCHEMBL19364057 0.78 MPO (0.54) MPO
SCHEMBL19364093 0.77 MPO (0.55) MPO
SCHEMBL19363911 0.77 MPO (0.78) MPO
SCHEMBL19358452 0.75 MPO (0.62) MPO

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-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — 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-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 MPO 1/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 MPO 1/4885

“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