SCHEMBL18585151

SCHEMBL18585151

Nc1cc(OCc2ccccc2F)c2nn[nH]c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 9/20 0.62
▸ DHFR P00374 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL18585277 0.91 MPO (0.51) MPODHFRKDM4EMEN1KMT2A
SCHEMBL18585024 0.87 MPO (0.46) MPODHFRMAOBCYP3A4DCPS
SCHEMBL18619753 0.86 MPO (0.46) MPOKDM4EMEN1KMT2ATP53
SCHEMBL18621531 0.85 MPO (0.62) MPOLMNAMAPTGAATHRB
SCHEMBL18585410 0.85 MPO (0.45) MPOMEN1KMT2ALMNAPOLB
SCHEMBL18584974 0.85 MPO (0.45) MPOSLC6A4MAOB
SCHEMBL18621127 0.84 TLR8 (0.46) MPOTLR8TLR7GAAHTR1A
SCHEMBL18585177 0.84 MPO (0.44) MPODHFRCYP3A4DCPS
SCHEMBL18585182 0.84 MPO (0.44) MPOCYP3A4
SCHEMBL18585159 0.84 MPO (0.44) MPOKDM4ETLR7GAACYP3A4

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 2/4885DHFR 1292/4885KDM4E 1350/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885DHFR 1292/4885KDM4E 1350/4885

“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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