SCHEMBL19381017

SCHEMBL19381017

Nc1cc(C(CCC(N)Cc2ccccc2)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 17/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ TPO P07202 3/20 0.44
▸ EPX P11678 2/20 0.38
▸ EPHX1 P07099 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL19359393 0.89 MPO (0.62) MPOCYP3A4TPOEPXCYP1A2
SCHEMBL22406622 0.89 MPO (0.48) MPOCYP3A4TPOEPX
SCHEMBL22406452 0.87 MPO (0.55) MPOCYP3A4TPOEPX
SCHEMBL22424025 0.86 MPO (0.40) MPOCYP3A4TPOEPHX1CYP1A2
SCHEMBL19380953 0.86 MPO (0.46) MPOCYP3A4TPOEPX
SCHEMBL22406605 0.86 MPO (0.50) MPOCYP3A4TPOEPXCYP1A2
SCHEMBL19359534 0.85 MPO (0.65) MPOCYP3A4TPOEPX
SCHEMBL22423883 0.84 MPO (0.60) MPOCYP3A4TPOEPX
SCHEMBL22406531 0.83 MPO (0.46) MPOCYP3A4TPOEPX
SCHEMBL22406387 0.83 MPO (0.46) 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 5 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
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — 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 (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 570/4885TPO 31/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885TPO 31/4885

“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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