SCHEMBL19359353

SCHEMBL19359353

Nc1cc(C(CCNCc2cccc3ccccc23)c2ccccc2)cc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ MC5R P33032 1/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ABCB1 P08183 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL22406388 0.85 MPO (0.52) MPOCYP3A4HPGDMAPK1MC5R
SCHEMBL19380923 0.82 MPO (0.49) MPOCYP3A4HPGDMAPK1MC5R
SCHEMBL19380986 0.81 MPO (0.64) MPOCYP3A4MEN1KMT2A
SCHEMBL19359152 0.81 MPO (0.64) MPOCYP3A4MEN1KMT2A
SCHEMBL19380921 0.80 MPO (0.54) MPOCYP3A4SLC6A4
SCHEMBL19359412 0.80 MPO (0.54) MPOCYP3A4SLC6A4
SCHEMBL22423851 0.79 SMPD1 (0.42) HPGDMAPK1MC5RSLC6A4SMPD1
SCHEMBL19359496 0.79 SMPD1 (0.42) HPGDMAPK1MC5RSLC6A4SMPD1
SCHEMBL7351155 0.76 KCNH2 (0.58) HPGDSLC6A4ABCB1KMT2A
SCHEMBL22406438 0.75 MPO (0.43) MPOCYP3A4HPGDSLC6A4CA12

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 3 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-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 570/4885HPGD 231/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885HPGD 231/4885

“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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