SCHEMBL19359496

SCHEMBL19359496

Cc1ccc(C)n1-c1cc(C(CCNCc2cccc3ccccc23)c2ccccc2)cc(-n2c(C)ccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ MC5R P33032 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ HTT P42858 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
SCHEMBL22423851 1.00 SMPD1 (0.42) SMPD1L3MBTL1HPGDSLC6A4MAPK1
SCHEMBL19380922 0.93 SMPD1 (0.39) SMPD1L3MBTL1HPGDSLC6A4MAPK1
SCHEMBL19359166 0.84 MPO (0.46) KMT2AMEN1HTTSMN1; SMN2
SCHEMBL19359353 0.79 MPO (0.48) SMPD1L3MBTL1HPGDSLC6A4MAPK1
SCHEMBL19359467 0.73 LMNA (0.52) MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL7351155 0.70 KCNH2 (0.58) HPGDSLC6A4KMT2AABCB1
SCHEMBL22406388 0.70 MPO (0.52) SMPD1L3MBTL1HPGDSLC6A4MAPK1
SCHEMBL19380923 0.68 MPO (0.49) SMPD1HPGDSLC6A4MAPK1MC5R
SCHEMBL19359266 0.68 POLB (0.42) L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL20495649 0.68 HPGD (0.69) SMPD1L3MBTL1HPGDMAPK1MC5R

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-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 SMPD1 263/4885L3MBTL1 4421/4885HPGD 231/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 SMPD1 263/4885L3MBTL1 4421/4885HPGD 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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