SCHEMBL20672132

SCHEMBL20672132

Nc1cc(Cn2nnc3c(Cl)cccc32)c2nn[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 11/20 0.43
▸ SLC9A1 P19634 1/20 0.36
▸ MPO P05164 2/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL18586099 0.83 SLC9A1 (0.38) GRM2SLC9A1MPOKMT2AMEN1
SCHEMBL18586034 0.83 LMNA (0.48) GRM2SLC9A1KMT2AALDH1A1LMNA
SCHEMBL18616566 0.80 SLC9A1 (0.44) GRM2SLC9A1MPOKMT2AALDH1A1
SCHEMBL18586233 0.80 SLC9A1 (0.44) GRM2SLC9A1MPOKMT2AALDH1A1
SCHEMBL18585766 0.79 MPO (0.33) MPO
SCHEMBL18617398 0.79 GRM2 (0.43) GRM2SLC9A1ALDH1A1LMNATSHR
SCHEMBL18620095 0.74 MPO (0.62) MPO
SCHEMBL18586454 0.74 HCAR3 (0.39) GRM2SLC9A1MPOKMT2AALDH1A1
SCHEMBL18585842 0.74 GRM2 (0.38) GRM2SLC9A1MPOKMT2AALDH1A1
SCHEMBL17595750 0.74 GRM2 (0.42) GRM2SLC9A1MPOALDH1A1TSHR

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 2 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 — — US 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 GRM2 3309/4885SLC9A1 1353/4885MPO 2/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 GRM2 3309/4885SLC9A1 1353/4885MPO 2/4885

“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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