SCHEMBL22406677

SCHEMBL22406677

Nc1cc([C@H](CC(=O)NC23CCC(c4ccccc4)(CC2)C(O)C3)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 11/20 0.41
EPX P11678 1/20 0.39
TPO P07202 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 2/20 0.31
F2 P00734 1/20 0.30

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
SCHEMBL22406679 1.00 MPO (0.41) MPOEPXTPOL3MBTL1TP53
SCHEMBL22406528 0.87 MPO (0.49) MPOEPXTPOL3MBTL1TP53
SCHEMBL19381201 0.87 MPO (0.49) MPOEPXTPOL3MBTL1TP53
SCHEMBL22406409 0.85 MPO (0.55) MPOEPXTPOCYP3A4
SCHEMBL22406482 0.85 MPO (0.55) MPOEPXTPOCYP3A4
SCHEMBL22423927 0.81 MPO (0.44) MPOEPXTPOL3MBTL1TP53
SCHEMBL22423914 0.76 MPO (0.53) MPOEPXTPOCYP3A4
SCHEMBL22423916 0.74 MPO (0.51) MPOEPXTPOCYP3A4
SCHEMBL22406647 0.73 MPO (0.54) MPOEPXTPOCYP3A4
SCHEMBL19358571 0.72 MPO (0.70) MPOEPXTPO

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-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

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 2/4885EPX 1/4885TPO 31/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885EPX 1/4885TPO 31/4885

“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.