SCHEMBL19359376

SCHEMBL19359376

Nc1cc(C(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.46
▸ CNR2 P34972 5/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ TAS2R14 Q9NYV8 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ SPPL2A Q8TCT8 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL19359538 0.80 CNR2 (0.45) CNR2HTR2AHTR2CSLC6A4TAS2R14
SCHEMBL19381432 0.71 MPO (0.36) HTR2ASLC6A4ALDH1A1L3MBTL1POLB
SCHEMBL19359442 0.71 LMNA (0.51) CA2ALDH1A1TDP1GAA
SCHEMBL984791 0.71 TAS2R14 (0.71) CNR2TAS2R14MEN1KMT2ACA2
SCHEMBL19359428 0.70 SLC6A2 (0.58) BACE1HTR2ASLC6A4
SCHEMBL15677245 0.69 RORC (0.58) BACE1CNR2HTR2AHTR2CSLC6A4
SCHEMBL13911246 0.69 GAA (0.67) BACE1CNR2HTR2AHTR2CSLC6A4
SCHEMBL5010583 0.68 HTR2A (0.81) BACE1CNR2HTR2AHTR2CSLC6A4
SCHEMBL4344835 0.67 BACE1 (0.57) BACE1CNR2TAS2R14MEN1KMT2A
SCHEMBL4349477 0.67 BACE1 (0.57) BACE1CNR2TAS2R14MEN1KMT2A

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-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 BACE1 1236/4885CNR2 2634/4885HTR2A 4364/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 BACE1 1236/4885CNR2 2634/4885HTR2A 4364/4885

“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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