SCHEMBL18619987

SCHEMBL18619987

Nc1cc(OCc2ccc(Cl)cc2)c2nn[nH]c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TEC P42680 1/20 0.40
RHEB Q15382 2/20 0.39
CCR5 P51681 3/20 0.39
DHFR P00374 1/20 0.39
STAT3 P40763 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SLC6A4 P31645 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAP4K3 Q8IVH8 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18621556 0.87 MPO (0.45) MPOSMN1; SMN2LMNAMAPTHTT
SCHEMBL17596384 0.87 MPO (0.59) MPOSMN1; SMN2HTTSTAT3MAPK13
SCHEMBL19295687 0.87 MPO (0.59) MPOSMN1; SMN2HTTSTAT3MAPK13
SCHEMBL18621516 0.86 MPO (0.63) MPODHFRSLC6A4
SCHEMBL18585230 0.86 MPO (0.49) MPODHFRMAPK13MAPK12MAPK11
SCHEMBL18584830 0.86 MPO (0.49) MPODHFRMAPK13MAPK12MAPK11
SCHEMBL18585224 0.84 MPO (0.44) MPO
SCHEMBL18621160 0.82 MPO (0.45) MPOMAPT
SCHEMBL18584824 0.82 MPO (0.41) MPOLMNAMAPK13MAPK12MAPK11
SCHEMBL18585050 0.82 RHEB (0.44) MPORHEBMAPK13MAPK12MAPK11

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 2/4885SMN1; SMN2 4647/4885L3MBTL1 4506/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885SMN1; SMN2 4647/4885L3MBTL1 4506/4885

“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.