SCHEMBL17596119

SCHEMBL17596119

Nc1cc(OCc2cccc3c2OCCO3)c(N=Nc2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MPO P05164 3/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MTNR1A P48039 7/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ DCPS Q96C86 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL17596117 1.00 MAPT (0.34) MAPTRECQLMPOMAOAMAOB
SCHEMBL20481870 0.81 MPO (0.50) MAPTRECQLMPOMEN1KMT2A
SCHEMBL18620993 0.81 MPO (0.50) MAPTRECQLMPOMEN1KMT2A
SCHEMBL17596065 0.76 MPO (0.46) MAPTRECQLMPOMEN1KMT2A
SCHEMBL17596066 0.76 MPO (0.46) MAPTRECQLMPOMEN1KMT2A
SCHEMBL18585009 0.76 MPO (0.36) MAPTRECQLMPOMEN1KMT2A
SCHEMBL18585011 0.76 MPO (0.36) MAPTRECQLMPOMEN1KMT2A
SCHEMBL19295489 0.72 MAPT (0.48) MAPTRECQLMEN1KMT2AGAA
SCHEMBL17595762 0.69 MPO (0.38) MPOMTNR1AADORA2AADORA1
SCHEMBL20672109 0.66 MAPT (0.44) MAPTRECQLMPOMEN1KMT2A

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-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 — — EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 — — 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 (1 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MAPT 4659/4885RECQL 1132/4885MPO 2/4885

“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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