SCHEMBL18618043

SCHEMBL18618043

COc1ccc2cccc(-n3cc(Cc4cc(N)nc5[nH]nnc45)cn3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 8/20 0.42
▸ HTR2A P28223 3/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ HRH2 P25021 2/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ ADRA1B P35368 2/20 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
SCHEMBL18585584 0.87 MPO (0.49) MPO
SCHEMBL18586239 0.86 MPO (0.50) MPOKDM4EALDH1A1
SCHEMBL18586326 0.84 MPO (0.46) MPOHTR1ADRD2DRD4DRD3
SCHEMBL18586411 0.84 MPO (0.50) MPOKDM4EALDH1A1
SCHEMBL18586356 0.81 MPO (0.48) MPOKDM4EALDH1A1
SCHEMBL18585816 0.80 MPO (0.43) MPOHTR2AHTR1ADRD2HTR2C
SCHEMBL18617551 0.79 MPO (0.45) MPO
SCHEMBL18586319 0.79 MPO (0.48) MPODRD2DRD4DRD3KDM4E
SCHEMBL18586084 0.79 MPO (0.53) MPO
SCHEMBL18585637 0.79 MEN1 (0.53) MPOMTNR1AMTNR1B

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 2/4885HTR2A 3501/4885ADRB2 1042/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MPO 2/4885HTR2A 3501/4885ADRB2 1042/4885

“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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