SCHEMBL22423882

SCHEMBL22423882

CN(C)C(=O)c1cccc(CNCCC(c2ccccc2)c2cc(N)nc(NN)c2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 7/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ LIPG Q9Y5X9 1/20 0.37
▸ BACE1 P56817 3/20 0.36
▸ BCHE P06276 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SLC7A5 Q01650 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL22406484 0.82 MPO (0.52) MPOCYP3A4LIPGBACE1BCHE
SCHEMBL19380923 0.75 MPO (0.49) MPOCYP3A4HPGDCA2
SCHEMBL19380947 0.73 MPO (0.48) MPOCYP3A4BACE1BCHE
SCHEMBL19380918 0.72 MPO (0.67) MPOCYP3A4MEN1KMT2A
SCHEMBL22406681 0.71 MPO (0.55) MPOCYP3A4BACE1BCHE
SCHEMBL22423889 0.71 MPO (0.52) MPOCYP3A4HIF1ASLC7A5
SCHEMBL19381113 0.67 MPO (0.42) MPOCYP3A4
SCHEMBL19381452 0.66 MPO (0.47) MPOCYP3A4BACE1BCHETSHR
SCHEMBL19359152 0.66 MPO (0.64) MPOCYP3A4BACE1BCHEMEN1
SCHEMBL19380986 0.66 MPO (0.64) MPOCYP3A4BACE1BCHEMEN1

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 2 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

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 570/4885LIPG 100/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885LIPG 100/4885

“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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