SCHEMBL18619935

SCHEMBL18619935

COc1cccc(COc2cc(N)nc3[nH]nnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MPO P05164 3/20 0.47
MAOB P27338 6/20 0.45
PIN1 Q13526 1/20 0.45
HTR1A P08908 2/20 0.44
ABCB1 P08183 1/20 0.44
DRD2 P14416 1/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
CSF1R P07333 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL18584831 0.94 MPO (0.48) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL20481845 0.90 MPO (0.52) MAPTSMN1; SMN2MPOMAOB
SCHEMBL18621044 0.89 DHFR (0.46) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL18585197 0.88 KDM4E (0.46) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL18619929 0.88 MPO (0.47) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL18585057 0.86 MPO (0.47) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL18585254 0.85 MPO (0.52) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL18585279 0.85 MPO (0.41) MAPK13PTGS1MAPK12MAPK11MAPK14
SCHEMBL17596384 0.84 MPO (0.59) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL19295687 0.84 MPO (0.59) MAPK13MAPK12MAPK11MAPK14HTT

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 MAPK13 2736/4885PTGS1 89/4885MAPK12 2494/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MAPK13 2736/4885PTGS1 89/4885MAPK12 2494/4885

“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.