SCHEMBL22423923

SCHEMBL22423923

CC(CCN[C@@H](CO)CCCc1ccccc1)c1cc(N)nc2[nH]nnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ CX3CR1 P49238 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ SIGMAR1 Q99720 4/20 0.32
▸ F2 P00734 1/20 0.32
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ CDK7 P50613 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
SCHEMBL22406407 0.89 MPO (0.51) MPOCYP3A4
SCHEMBL19381020 0.89 MPO (0.51) MPOCYP3A4
SCHEMBL22423930 0.87 MPO (0.47) MPOCYP3A4POLBNOS3NOS1
SCHEMBL19359534 0.77 MPO (0.65) MPOCYP3A4NOS3NOS1NOS2
SCHEMBL22423844 0.76 MPO (0.43) MPOCYP3A4SIGMAR1
SCHEMBL22424025 0.76 MPO (0.40) MPOCYP3A4SIGMAR1
SCHEMBL22423931 0.74 MPO (0.50) MPOCYP3A4POLB
SCHEMBL22423883 0.74 MPO (0.60) MPOCYP3A4SIGMAR1HTR7
SCHEMBL22406499 0.73 MPO (0.54) MPOCYP3A4SIGMAR1
SCHEMBL22406452 0.72 MPO (0.55) MPOCYP3A4POLB

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 570/4885CCNK 3278/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885CCNK 3278/4885

“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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