SCHEMBL18620122

SCHEMBL18620122

COC(=O)c1cccc(Cc2cc(N)nc3[nH]nnc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.67
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ ADCY10 Q96PN6 1/20 0.47
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL18618932 0.86 MPO (0.65) MPO
SCHEMBL18584832 0.83 MPO (0.49) MPOLOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL18586503 0.82 MPO (0.70) MPOROCK1
SCHEMBL19381116 0.82 DHFR (0.50) MPOADCY10DHFR
SCHEMBL18621230 0.82 MPO (0.45) MPOTLR7SMN1; SMN2MEN1KMT2A
SCHEMBL18620092 0.81 MPO (0.45) MPOSMN1; SMN2ROCK1PARP1
SCHEMBL18586867 0.81 MPO (0.70) MPONPC1RAB9ASMN1; SMN2PARP1
SCHEMBL18620070 0.80 MPO (0.60) MPO
SCHEMBL18586029 0.79 MPO (0.65) MPOLOXL2ADCY10CYP4F2CYP4A11
SCHEMBL18620306 0.79 MPO (0.60) MPO

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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2018-10-04 — — US disclosed
WO-2017040451-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO 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 (1 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-20180282320-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885LOXL2 1117/4885ADCY10 3405/4885

“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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