SCHEMBL22423868

SCHEMBL22423868

Nc1cc(C(CCNCc2ccccn2)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 11/20 0.71
▸ CYP3A4 P08684 2/20 0.53
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PLK1 P53350 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ EPX P11678 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL19359334 0.86 MPO (0.69) MPOCYP3A4MEN1KMT2AEPX
SCHEMBL19359406 0.85 MPO (0.50) MPOCYP3A4KDM4EEPX
SCHEMBL22406616 0.84 MPO (0.54) MPOCYP3A4EPX
SCHEMBL22406504 0.82 MPO (0.58) MPOCYP3A4MEN1KMT2AEPX
SCHEMBL22406662 0.82 MPO (0.53) MPOCYP3A4EPX
SCHEMBL22406426 0.81 MPO (0.56) MPOCYP3A4EPX
SCHEMBL19359412 0.81 MPO (0.54) MPOCYP3A4EPX
SCHEMBL19380921 0.81 MPO (0.54) MPOCYP3A4EPX
SCHEMBL22406501 0.81 MPO (0.57) MPOCYP3A4EPX
SCHEMBL22406486 0.81 MPO (0.50) MPOCYP3A4EPX

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 570/4885MEN1 4785/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885MEN1 4785/4885

“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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