SCHEMBL19359434

SCHEMBL19359434

Nc1cc(C(CCNS(=O)(=O)c2ccccc2)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 14/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ PKM P14618 2/20 0.43
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ EPX P11678 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ TPO P07202 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22406616 0.81 MPO (0.54) MPOCYP3A4EPXTPO
SCHEMBL19380989 0.80 PKM (0.45) MPOCYP3A4PKMLMNATP53
SCHEMBL19359262 0.80 PKM (0.45) MPOCYP3A4PKMLMNATP53
SCHEMBL22406531 0.80 MPO (0.46) MPOCYP3A4EPXTPO
SCHEMBL22406387 0.80 MPO (0.46) MPOCYP3A4EPXTPO
SCHEMBL19359334 0.80 MPO (0.69) MPOCYP3A4EPXTPO
SCHEMBL19359415 0.80 CYP3A4 (0.50) MPOCYP3A4LMNAHTTNPSR1
SCHEMBL19359304 0.79 EPHX2 (0.53) MPOCYP3A4EPXSMN1; SMN2
SCHEMBL22406452 0.79 MPO (0.55) MPOCYP3A4EPXTPO
SCHEMBL22406426 0.79 MPO (0.56) MPOCYP3A4EPXTPO

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 6 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
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 570/4885PKM 890/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885PKM 890/4885

“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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