SCHEMBL22423837

SCHEMBL22423837

COc1cccc(C(C)c2cc(N)nc(N)c2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ AOC3 Q16853 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASR P41180 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37

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
SCHEMBL22423859 0.81 CYP3A4 (0.46) CYP3A4ALDH1A1AOC3L3MBTL1SMN1; SMN2
SCHEMBL22423864 0.81 TYR (0.41) CYP3A4TAAR1
SCHEMBL19359217 0.80 MPO (0.46) CYP3A4CASRTAAR1
SCHEMBL22423935 0.77 GSK3B (0.45) CYP3A4L3MBTL1SMN1; SMN2NPC1LMNA
SCHEMBL30268324 0.77 DHFR (0.40) CYP3A4ALDH1A1AOC3TAAR1KDM4E
SCHEMBL10290007 0.75 CASR (0.53) CYP3A4ALDH1A1AOC3L3MBTL1CASR
SCHEMBL13727436 0.72 NOS3 (0.45) CYP3A4ALDH1A1AOC3L3MBTL1SMN1; SMN2
SCHEMBL16746781 0.70 CYP3A4 (0.41) CYP3A4ALDH1A1AOC3L3MBTL1SMN1; SMN2
SCHEMBL10707052 0.70 CASR (0.57) AOC3L3MBTL1CASRTAAR1
SCHEMBL22708265 0.69 TYR (0.42) CYP3A4ALDH1A1CASRCYP2D6

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 CYP3A4 570/4885ALDH1A1 382/4885AOC3 158/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 CYP3A4 570/4885ALDH1A1 382/4885AOC3 158/4885

“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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