SCHEMBL22423838

SCHEMBL22423838

COc1cccc(C(CCCc2ccccc2)c2cc(N)nc(N)c2/N=N/c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GSK3B P49841 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CASR P41180 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 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
SCHEMBL22406453 0.89 GSK3B (0.39) MPOCYP3A4GSK3BHTTMEN1
SCHEMBL19380924 0.89 GSK3B (0.39) MPOCYP3A4GSK3BHTTMEN1
SCHEMBL22423935 0.81 GSK3B (0.45) CYP3A4GSK3BHTTMEN1NPC1
SCHEMBL19359499 0.77 CYP3A4 (0.47) MPOCYP3A4GSK3BHTTMEN1
SCHEMBL19359500 0.77 CYP3A4 (0.47) MPOCYP3A4GSK3BHTTMEN1
SCHEMBL22406664 0.75 MPO (0.54) MPOCYP3A4MEN1MAPTKMT2A
SCHEMBL19380987 0.75 MPO (0.54) MPOCYP3A4MEN1MAPTKMT2A
SCHEMBL19380925 0.75 DHFR (0.48) MPOGSK3BHTTMEN1NPC1
SCHEMBL22423850 0.74 MAPT (0.43) CYP3A4GSK3BHTTMEN1NPC1
SCHEMBL22406467 0.70 EPHX2 (0.48) MEN1MAPTKMT2ACASR

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-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

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 MPO 2/4885CYP3A4 570/4885GSK3B 2009/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885GSK3B 2009/4885

“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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