SCHEMBL18585208

SCHEMBL18585208

Nc1cc(OCc2cc(Cl)ccc2OC(F)(F)F)c2nn[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 11/20 0.41
▸ CYP3A4 P08684 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ SLC6A4 P31645 3/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32

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
SCHEMBL18585012 0.86 MPO (0.42) MPOCYP3A4SLC6A4
SCHEMBL18585054 0.86 MPO (0.43) MPOMEN1KMT2A
SCHEMBL18585182 0.86 MPO (0.44) MPOCYP3A4
SCHEMBL18621535 0.85 MPO (0.42) MPOMEN1KMT2A
SCHEMBL18585240 0.82 MPO (0.40) MPOSLC6A4
SCHEMBL18584845 0.82 RUNX1 (0.36) MPO
SCHEMBL18584843 0.81 MPO (0.35) MPOSLC6A4
SCHEMBL18585313 0.81 MPO (0.46) MPOCYP3A4FFAR4KMT2A
SCHEMBL18585021 0.80 MPO (0.49) MPOCYP3A4MEN1KMT2A
SCHEMBL18621787 0.80 MPO (0.38) MPOCYP3A4

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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 — — US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 — — US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 — — US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
WO-2017040450-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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 225/4885FFAR4 3254/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 225/4885FFAR4 3254/4885

“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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