SCHEMBL18585011

SCHEMBL18585011

Nc1cc(OCc2ccccc2OC(F)(F)F)c(N=Nc2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SGMS1 Q86VZ5 1/20 0.34
▸ SGMS2 Q8NHU3 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DCPS Q96C86 2/20 0.33
▸ KCNN3 Q9UGI6 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ LNPEP Q9UIQ6 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
SCHEMBL18585009 1.00 MPO (0.36) MPOMAPTRECQLGRIN2BALOX5AP
SCHEMBL20481870 0.85 MPO (0.50) MPOMAPTRECQLMEN1KMT2A
SCHEMBL18620993 0.85 MPO (0.50) MPOMAPTRECQLMEN1KMT2A
SCHEMBL17596066 0.81 MPO (0.46) MPOMAPTRECQLMEN1KMT2A
SCHEMBL17596065 0.81 MPO (0.46) MPOMAPTRECQLMEN1KMT2A
SCHEMBL18619967 0.78 MPO (0.42) MPOGRIN2BALOX5APFEN1SGMS1
SCHEMBL18619963 0.78 SGMS1 (0.38) MPOMAPTGRIN2BALOX5APFEN1
SCHEMBL17596119 0.76 MAPT (0.34) MPOMAPTRECQLMEN1KMT2A
SCHEMBL17596117 0.76 MAPT (0.34) MPOMAPTRECQLMEN1KMT2A
SCHEMBL19295489 0.74 MAPT (0.48) MAPTRECQLMEN1KMT2ASMN1; SMN2

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 3 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-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 2/4885MAPT 4637/4885RECQL 1482/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885MAPT 4637/4885RECQL 1482/4885

“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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