SCHEMBL19359538

SCHEMBL19359538

Cc1ccc(C)n1-c1cc(C(CCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2)cc(-n2c(C)ccc2C)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.45
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ RORC P51449 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TAS2R14 Q9NYV8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL19359376 0.80 BACE1 (0.46) CNR2HTR2AHTR2CSLC6A4RORC
SCHEMBL19359467 0.76 LMNA (0.52) GAALMNATP53
SCHEMBL19359166 0.71 MPO (0.46) CNR2LMNATP53CNR1
SCHEMBL13911246 0.67 GAA (0.67) CNR2HTR2AHTR2CSLC6A4GAA
SCHEMBL15677245 0.67 RORC (0.58) CNR2HTR2AHTR2CSLC6A4RORC
SCHEMBL13686805 0.67 CNR2 (0.47) CNR2HTR2AHTR2CSLC6A4TAS2R14
SCHEMBL19359266 0.66 POLB (0.42) LMNATP53
SCHEMBL984791 0.66 TAS2R14 (0.71) CNR2TAS2R14
SCHEMBL5010583 0.66 HTR2A (0.81) CNR2HTR2AHTR2CSLC6A4GAA
SCHEMBL15677741 0.65 RXFP1 (0.63) CNR2HTR2AHTR2CSLC6A4GAA

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 CNR2 2634/4885HTR2A 4364/4885HTR2C 4237/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 CNR2 2634/4885HTR2A 4364/4885HTR2C 4237/4885

“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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