SCHEMBL22423844

SCHEMBL22423844

CC(Cc1ccccc1)c1cc(N)nc2[nH]nnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 5/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ SIGMAR1 Q99720 5/20 0.36
▸ TAAR1 Q96RJ0 4/20 0.36
▸ SLC18A2 Q05940 1/20 0.36
▸ MAOA P21397 4/20 0.35
▸ MAOB P27338 3/20 0.35
▸ NISCH Q9Y2I1 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TPO P07202 2/20 0.34
▸ EPX P11678 1/20 0.33

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
SCHEMBL22424025 0.89 MPO (0.40) MPOCYP3A4SIGMAR1TAAR1MAOA
SCHEMBL22423930 0.85 MPO (0.47) MPOCYP3A4TPO
SCHEMBL19359393 0.85 MPO (0.62) MPOCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL22423855 0.83 MPO (0.39) MPOCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL22423931 0.83 MPO (0.50) MPOCYP3A4TPO
SCHEMBL19359405 0.81 MPO (0.46) MPOCYP3A4TPOEPX
SCHEMBL22406459 0.80 MPO (0.51) MPOCYP3A4TPO
SCHEMBL19381424 0.80 MPO (0.38) MPOCYP3A4TPOEPX
SCHEMBL19359469 0.80 MPO (0.38) MPOCYP3A4TPOEPX
SCHEMBL19381017 0.80 MPO (0.50) MPOCYP3A4TPOEPX

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 570/4885SIGMAR1 3710/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885SIGMAR1 3710/4885

“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.

Send feedback