SCHEMBL19359304

SCHEMBL19359304

Nc1cc(C(CCNC(=O)c2ccccc2)c2ccccc2)c2nn[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.53
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MPO P05164 6/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TPSAB1 Q15661 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ EPX P11678 1/20 0.39

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
SCHEMBL19380957 0.82 MPO (0.46) MPOCYP3A4EPX
SCHEMBL22406387 0.82 MPO (0.46) MPOCYP3A4EPX
SCHEMBL22406616 0.81 MPO (0.54) MPOCYP3A4EPX
SCHEMBL22406681 0.81 MPO (0.55) MPOCYP3A4EPX
SCHEMBL19359257 0.80 EPHX2 (0.60) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19381378 0.80 EPHX2 (0.60) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL22406531 0.80 MPO (0.46) MPOCYP3A4EPX
SCHEMBL19359334 0.80 MPO (0.69) MEN1KMT2AMPOCYP3A4EPX
SCHEMBL19359415 0.80 CYP3A4 (0.50) CYP2C19MEN1KMT2AMPOCYP3A4
SCHEMBL19380952 0.79 MPO (0.44) MPOCYP3A4POLBEPX

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 5 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

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 EPHX2 15/4885CYP2C9 391/4885CYP2C19 234/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 EPHX2 15/4885CYP2C9 391/4885CYP2C19 234/4885

“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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