SCHEMBL22406475

SCHEMBL22406475

NCC=C(c1ccccc1)c1cc(N)nc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TBXAS1 P24557 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL19380830 1.00 MEN1 (0.40) MEN1ALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL1286537 0.83 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MTNR1A
SCHEMBL22406538 0.81 MTNR1A (0.54) ALDH1A1MTNR1AMTNR1B
SCHEMBL19380836 0.81 MTNR1A (0.54) ALDH1A1MTNR1AMTNR1B
SCHEMBL19359578 0.77 MTNR1A (0.40) MEN1ALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL19359580 0.77 MTNR1A (0.40) MEN1ALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL19381112 0.77 CYP19A1 (0.55) MEN1ALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL22406542 0.77 CYP19A1 (0.55) MEN1ALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL17117418 0.74 PRSS1 (0.50)
SCHEMBL14415619 0.72 PARP1 (0.46) MEN1KMT2ATBXAS1NPC1RAB9A

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 MEN1 4785/4885ALDH1A1 382/4885CYP3A4 570/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MEN1 4785/4885ALDH1A1 382/4885CYP3A4 570/4885

“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.