SCHEMBL22406681

SCHEMBL22406681

NC(=O)c1cccc(CNCCC(c2ccccc2)c2cc(N)nc3[nH]nnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 14/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ SLC6A4 P31645 1/20 0.38
▸ TPO P07202 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ EPX P11678 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL22423889 0.91 MPO (0.52) MPOCYP3A4TPOFOLH1
SCHEMBL22406484 0.90 MPO (0.52) MPOCYP3A4TPOEPXBCHE
SCHEMBL19359334 0.88 MPO (0.69) MPOCYP3A4TPOEPX
SCHEMBL22406504 0.83 MPO (0.58) MPOCYP3A4TPOEPX
SCHEMBL22406421 0.83 MPO (0.56) MPOCYP3A4BCHEBACE1
SCHEMBL19359304 0.81 EPHX2 (0.53) MPOCYP3A4EPX
SCHEMBL22406426 0.81 MPO (0.56) MPOCYP3A4TPOEPX
SCHEMBL22406501 0.81 MPO (0.57) MPOCYP3A4TPOEPX
SCHEMBL22406616 0.80 MPO (0.54) MPOCYP3A4TPOEPX
SCHEMBL22406662 0.79 MPO (0.53) MPOCYP3A4TPOEPX

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
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885SLC6A4 4638/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885SLC6A4 4638/4885

“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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