SCHEMBL18585746

SCHEMBL18585746

Nc1cc(Cc2cnn(Cc3ccc(Cl)cc3)c2)c2nn[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 16/20 0.53
▸ KLKB1 P03952 1/20 0.42
▸ TPO P07202 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35

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
SCHEMBL18617373 0.92 MPO (0.53) MPOKLKB1
SCHEMBL18616570 0.91 MPO (0.53) MPOKLKB1
SCHEMBL18586149 0.90 MPO (0.66) MPOKLKB1TPOCYP3A4
SCHEMBL18585608 0.90 MPO (0.48) MPOKLKB1CYP3A4KDM4EALDH1A1
SCHEMBL18617372 0.90 MPO (0.55) MPOKLKB1
SCHEMBL18617587 0.89 MPO (0.58) MPOKLKB1TPOCYP3A4
SCHEMBL18616420 0.88 MPO (0.52) MPOKLKB1TPOCYP3A4
SCHEMBL18617776 0.88 MPO (0.50) MPOKLKB1
SCHEMBL18585653 0.88 MPO (0.50) MPOKLKB1
SCHEMBL18617315 0.88 MPO (0.50) MPOKLKB1

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 6 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
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 2/4885KLKB1 3268/4885TPO 7/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885KLKB1 3268/4885TPO 7/4885

“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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