SCHEMBL19359499

SCHEMBL19359499

Nc1cc(C(Cc2ccccc2)c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.47
▸ MPO P05164 4/20 0.47
▸ MAPT P10636 9/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 7/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ TDP1 Q9NUW8 6/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL19359500 1.00 CYP3A4 (0.47) CYP3A4MPOMAPTRECQLKMT2A
SCHEMBL19380924 0.88 GSK3B (0.39) CYP3A4MPOMAPTRECQLKMT2A
SCHEMBL22406453 0.88 GSK3B (0.39) CYP3A4MPOMAPTRECQLKMT2A
SCHEMBL22406664 0.84 MPO (0.54) CYP3A4MPOMAPTRECQLKMT2A
SCHEMBL19380987 0.84 MPO (0.54) CYP3A4MPOMAPTRECQLKMT2A
SCHEMBL22423850 0.82 MAPT (0.43) CYP3A4MAPTRECQLKMT2AMEN1
SCHEMBL22406467 0.79 EPHX2 (0.48) MAPTRECQLKMT2AMEN1CYP2C9
SCHEMBL19380833 0.79 EPHX2 (0.48) MAPTRECQLKMT2AMEN1CYP2C9
SCHEMBL22406468 0.79 EPHX2 (0.48) MAPTRECQLKMT2AMEN1CYP2C9
SCHEMBL19359549 0.78 MAPT (0.39) CYP3A4MPOMAPTRECQLKMT2A

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 CYP3A4 570/4885MPO 2/4885MAPT 4328/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 CYP3A4 570/4885MPO 2/4885MAPT 4328/4885

“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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