SCHEMBL18618156

SCHEMBL18618156

Nc1cc(Cc2cnn(Cc3ccccc3OCc3ccccc3)c2)c2nn[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 10/20 0.51
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KLKB1 P03952 3/20 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
SCHEMBL18618197 0.88 MPO (0.49) MPO
SCHEMBL18617760 0.88 MPO (0.57) MPOKLKB1
SCHEMBL18618063 0.87 MPO (0.52) MPOALDH1A1KLKB1
SCHEMBL18586149 0.87 MPO (0.66) MPOKLKB1
SCHEMBL18586384 0.84 MPO (0.52) MPOALDH1A1KLKB1
SCHEMBL18585595 0.83 MPO (0.53) MPOKLKB1
SCHEMBL18585955 0.82 MPO (0.57) MPOKLKB1
SCHEMBL18617219 0.82 MPO (0.52) MPOKLKB1
SCHEMBL18617517 0.81 MPO (0.56) MPOKLKB1
SCHEMBL18617587 0.81 MPO (0.58) MPOKLKB1

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 2/4885ALDH1A1 83/4885POLB 1095/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885ALDH1A1 83/4885POLB 1095/4885

“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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