SCHEMBL18586239

SCHEMBL18586239

COc1cccc(-n2cc(Cc3cc(N)nc4[nH]nnc34)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.50
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MKNK1 Q9BUB5 6/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37

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
SCHEMBL18586411 0.90 MPO (0.50) MPOKDM4EALDH1A1MAPTADORA3
SCHEMBL18617346 0.88 MPO (0.52) MPOADORA1ADORA3ADORA2A
SCHEMBL20658801 0.87 MPO (0.52) MPOMAPK1KDM4EALDH1A1MKNK1
SCHEMBL18586145 0.87 MPO (0.65) MPO
SCHEMBL18585640 0.86 MPO (0.53) MPOMAPK1MKNK1DHFR
SCHEMBL18585810 0.86 MPO (0.52) MPOKDM4EALDH1A1MAPTADORA3
SCHEMBL18586240 0.86 MPO (0.52) MPOALDH1A1
SCHEMBL18586378 0.86 MPO (0.52) MPOMKNK1
SCHEMBL18618043 0.86 MPO (0.42) MPOKDM4EALDH1A1
SCHEMBL18616377 0.85 MPO (0.58) MPO

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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US disclosed
WO-2017040449-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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885MAPK1 1942/4885KDM4E 1904/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885MAPK1 1942/4885KDM4E 1904/4885

“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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