SCHEMBL22406453

SCHEMBL22406453

COc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N=Nc2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MPO P05164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ CASR P41180 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ LMNA P02545 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
SCHEMBL19380924 1.00 GSK3B (0.39) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL22423838 0.89 MPO (0.41) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL19359499 0.88 CYP3A4 (0.47) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL19359500 0.88 CYP3A4 (0.47) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL22423935 0.84 GSK3B (0.45) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL19359217 0.80 MPO (0.46) MPOCYP3A4MTNR1AMTNR1BCASR
SCHEMBL19380925 0.77 DHFR (0.48) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL22423850 0.77 MAPT (0.43) GSK3BMAPTMEN1KMT2AHTT
SCHEMBL19359374 0.75 CASR (0.50) MPOCYP3A4MTNR1AMTNR1BCASR
SCHEMBL22406664 0.74 MPO (0.54) MAPTMEN1KMT2AMPOCYP3A4

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 GSK3B 2009/4885MAPT 4328/4885MEN1 4785/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 GSK3B 2009/4885MAPT 4328/4885MEN1 4785/4885

“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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