SCHEMBL22423935

SCHEMBL22423935

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.45
▸ MAPT P10636 7/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RECQL P46063 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ GFER P55789 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.34

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
SCHEMBL22423850 0.86 MAPT (0.43) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL22406453 0.84 GSK3B (0.39) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL19380924 0.84 GSK3B (0.39) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL22423838 0.81 MPO (0.41) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL22423837 0.77 CYP3A4 (0.40) GSK3BMAPTRAB9ALMNANPC1
SCHEMBL19380925 0.76 DHFR (0.48) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL19359499 0.72 CYP3A4 (0.47) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL19359500 0.72 CYP3A4 (0.47) GSK3BMAPTMEN1KMT2ARAB9A
SCHEMBL22423859 0.70 CYP3A4 (0.46) GSK3BMAPTKMT2ARAB9ALMNA
SCHEMBL17595329 0.69 MAPT (0.54) MAPTMEN1KMT2ARAB9AMAPK1

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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