SCHEMBL19359257

SCHEMBL19359257

Nc1cc(C(CCNC(=O)c2ccccc2)c2ccccc2)c(N)c(N)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.60
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL19381378 1.00 EPHX2 (0.60) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19359259 0.84 EPHX2 (0.73) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19359220 0.82 EPHX2 (0.62) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL22406468 0.81 EPHX2 (0.48) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19380833 0.81 EPHX2 (0.48) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL22406467 0.81 EPHX2 (0.48) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19359304 0.80 EPHX2 (0.53) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19381379 0.80 HTR2A (0.54) MPOCYP3A4
SCHEMBL5948102 0.77 EPHX2 (1.00) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL19380918 0.77 MPO (0.67) MEN1KMT2AMPOCYP3A4

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 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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