SCHEMBL18616432

SCHEMBL18616432

Nc1cc(Cc2cnn(Cc3cccc(-c4cccnc4)c3)c2)c2nn[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 12/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TPO P07202 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ KLKB1 P03952 2/20 0.38
▸ ITK Q08881 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ BACE1 P56817 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL18617517 0.91 MPO (0.56) MPOL3MBTL1TPOCYP3A4KLKB1
SCHEMBL18616580 0.91 MPO (0.53) MPOL3MBTL1TPOCYP3A4KLKB1
SCHEMBL18617360 0.86 MPO (0.47) MPOTPOCYP3A4KLKB1HDAC1
SCHEMBL18616588 0.86 MPO (0.49) MPOTPOCYP3A4KLKB1HDAC1
SCHEMBL18585798 0.86 MPO (0.54) MPOTPOCYP3A4KLKB1
SCHEMBL18586129 0.85 MPO (0.52) MPOL3MBTL1TPOCYP3A4KLKB1
SCHEMBL18617425 0.85 MPO (0.53) MPOTPOCYP3A4KLKB1
SCHEMBL18586149 0.85 MPO (0.66) MPOL3MBTL1TPOCYP3A4KLKB1
SCHEMBL18585840 0.84 MPO (0.46) MPOTPOCYP3A4KLKB1HDAC1
SCHEMBL18618124 0.84 MPO (0.46) MPOTPOCYP3A4KLKB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885L3MBTL1 4794/4885TPO 7/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885L3MBTL1 4794/4885TPO 7/4885

“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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