SCHEMBL18585182

SCHEMBL18585182

Nc1cc(OCc2ccccc2OC(F)(F)F)c2nn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.44
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ SGMS1 Q86VZ5 1/20 0.37
▸ SGMS2 Q8NHU3 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.36
▸ PDE9A O76083 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK13 O15264 1/20 0.33

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
SCHEMBL18585208 0.86 MPO (0.41) MPOCYP3A4
SCHEMBL18584843 0.86 MPO (0.35) MPO
SCHEMBL18584974 0.85 MPO (0.45) MPOSGMS2PLK1
SCHEMBL18621127 0.85 TLR8 (0.46) MPOSGMS2
SCHEMBL18585159 0.84 MPO (0.44) MPOCYP3A4MAPK13MAPK12MAPK11
SCHEMBL18584987 0.84 MPO (0.52) MPOMAPK13MAPK12MAPK11MAPK14
SCHEMBL18584970 0.84 MPO (0.43) MPOCYP3A4
SCHEMBL18585151 0.84 MPO (0.62) MPOCYP3A4
SCHEMBL18621547 0.83 MAOA (0.45) MPOCYP3A4
SCHEMBL18585021 0.83 MPO (0.49) 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 4 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

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 2/4885ALOX5AP 800/4885FEN1 1042/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885ALOX5AP 800/4885FEN1 1042/4885

“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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