SCHEMBL19359152

SCHEMBL19359152

Nc1cc(C(CCNCc2ccccc2)c2ccccc2)cc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 6/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ KCNH2 Q12809 2/20 0.51
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MITF O75030 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ BCHE P06276 2/20 0.45
▸ BACE1 P56817 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL19380986 1.00 MPO (0.64) MPOCYP3A4KCNH2MEN1KMT2A
SCHEMBL3641265 0.84 KCNH2 (0.69) MPOCYP3A4KCNH2MEN1KMT2A
SCHEMBL19380918 0.82 MPO (0.67) MPOCYP3A4KCNH2MEN1KMT2A
SCHEMBL19359353 0.81 MPO (0.48) MPOCYP3A4MEN1KMT2A
SCHEMBL30433738 0.80 MEN1 (0.57) MPOCYP3A4KCNH2MEN1KMT2A
SCHEMBL19359428 0.77 SLC6A2 (0.58) MPOCYP3A4BACE1SMN1; SMN2
SCHEMBL19359334 0.77 MPO (0.69) MPOCYP3A4MEN1KMT2A
SCHEMBL19359166 0.76 MPO (0.46) MPOCYP3A4KCNH2MEN1KMT2A
SCHEMBL19359259 0.73 EPHX2 (0.73) MEN1KMT2ACNR1SMN1; SMN2
SCHEMBL19359442 0.73 LMNA (0.51) TDP1TP53SMN1; SMN2

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 6 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-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
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — 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 (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 MPO 2/4885CYP3A4 570/4885KCNH2 2049/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885KCNH2 2049/4885

“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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