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SCHEMBL17596397

SCHEMBL17596397

COc1ccc(-n2nc(C)c(COc3cc(N)nc4[nH]nnc34)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 5/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ NPC1 O15118 7/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ MAPT P10636 6/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CASP3 P42574 3/20 0.37
▸ SENP8 Q96LD8 3/20 0.37
▸ SENP7 Q9BQF6 3/20 0.37
▸ SENP6 Q9GZR1 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL17596377 0.90 MPO (0.55) MPOCYP3A4NPC1ALDH1A1MAPT
SCHEMBL19283251 0.89 MPO (0.56) MPOCYP3A4NPC1RAB9AMEN1
SCHEMBL17596375 0.89 MPO (0.56) MPOCYP3A4NPC1RAB9AMEN1
SCHEMBL17596176 0.89 MPO (0.68) MPOCYP3A4KDM4ELMNAPKM
SCHEMBL17596380 0.85 MPO (0.52) MPOCYP3A4
SCHEMBL19283258 0.85 MPO (0.51) MPOCYP3A4
SCHEMBL17595428 0.84 MPO (0.50) MPOCYP3A4
SCHEMBL17595674 0.83 MPO (0.55) MPOCYP3A4MAPT
SCHEMBL17595420 0.82 MPO (0.56) MPOCYP3A4LMNAPKM
SCHEMBL19283228 0.80 MPO (0.67) MPOCYP3A4MAPTSMN1; SMN2TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 — — EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 — — 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 (1 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 241/4885NPC1 3570/4885

“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.