SCHEMBL19380987

SCHEMBL19380987

Nc1cc(C(CCNCc2ccccc2)c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 13/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ TPO P07202 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ EPX P11678 1/20 0.34
▸ MITF O75030 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
SCHEMBL22406664 1.00 MPO (0.54) MPOCYP3A4MEN1KMT2ATPO
SCHEMBL22406438 0.87 MPO (0.43) MPOCYP3A4MEN1KMT2AMAPT
SCHEMBL22406436 0.87 MPO (0.43) MPOCYP3A4MEN1KMT2AMAPT
SCHEMBL19359499 0.84 CYP3A4 (0.47) MPOCYP3A4MEN1KMT2ATPO
SCHEMBL19359500 0.84 CYP3A4 (0.47) MPOCYP3A4MEN1KMT2ATPO
SCHEMBL22406467 0.83 EPHX2 (0.48) MEN1KMT2AMAPTRECQL
SCHEMBL22406468 0.83 EPHX2 (0.48) MEN1KMT2AMAPTRECQL
SCHEMBL19380833 0.83 EPHX2 (0.48) MEN1KMT2AMAPTRECQL
SCHEMBL19359549 0.82 MAPT (0.39) MPOCYP3A4MEN1KMT2AMAPT
SCHEMBL19359551 0.82 MAPT (0.39) MPOCYP3A4MEN1KMT2AMAPT

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 MPO 2/4885CYP3A4 570/4885MEN1 4785/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885MEN1 4785/4885

“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.

Send feedback