SCHEMBL18584974

SCHEMBL18584974

Nc1cc(OCc2ccccc2C(F)(F)F)c2nn[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.45
▸ IDO1 P14902 2/20 0.42
▸ MAP4K3 Q8IVH8 1/20 0.41
▸ PLK1 P53350 4/20 0.40
▸ MAOB P27338 3/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ EGFR P00533 1/20 0.38
▸ SGMS2 Q8NHU3 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
SCHEMBL18584889 0.87 MPO (0.39) MPOMAP4K3PLK1FFAR1FFAR4
SCHEMBL18585012 0.86 MPO (0.42) MPOSLC6A4
SCHEMBL18585182 0.85 MPO (0.44) MPOPLK1SGMS2
SCHEMBL18585151 0.85 MPO (0.62) MPOMAOBSLC6A4
SCHEMBL18621531 0.82 MPO (0.62) MPOMAP4K3MAOBSLC6A4
SCHEMBL18621127 0.81 TLR8 (0.46) MPOIDO1MAP4K3EGFRSGMS2
SCHEMBL18585159 0.81 MPO (0.44) MPO
SCHEMBL18585277 0.81 MPO (0.51) MPO
SCHEMBL18584987 0.81 MPO (0.52) MPO
SCHEMBL18584970 0.81 MPO (0.43) MPO

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 2/4885IDO1 208/4885MAP4K3 2127/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885IDO1 208/4885MAP4K3 2127/4885

“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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