SCHEMBL22406468

SCHEMBL22406468

Nc1cc(C(CCNC(=O)c2ccccc2)c2ccccc2)c(N=Nc2ccc(Cl)cc2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX5 P09917 3/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ CASR P41180 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SLC6A9 P48067 2/20 0.39
▸ SLC6A5 Q9Y345 2/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL22406467 1.00 EPHX2 (0.48) EPHX2KMT2AMEN1ALOX5CYP2C9
SCHEMBL19380833 1.00 EPHX2 (0.48) EPHX2KMT2AMEN1ALOX5CYP2C9
SCHEMBL22406664 0.83 MPO (0.54) KMT2AMEN1MAPTRECQL
SCHEMBL19380987 0.83 MPO (0.54) KMT2AMEN1MAPTRECQL
SCHEMBL19359551 0.82 MAPT (0.39) KMT2AMEN1ALOX5MAPTRECQL
SCHEMBL19359549 0.82 MAPT (0.39) KMT2AMEN1ALOX5MAPTRECQL
SCHEMBL19359257 0.81 EPHX2 (0.60) EPHX2KMT2AMEN1ALOX5CYP2C9
SCHEMBL19381378 0.81 EPHX2 (0.60) EPHX2KMT2AMEN1ALOX5CYP2C9
SCHEMBL19359499 0.79 CYP3A4 (0.47) KMT2AMEN1CYP2C9CYP2C19MAPT
SCHEMBL19359500 0.79 CYP3A4 (0.47) KMT2AMEN1CYP2C9CYP2C19MAPT

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-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

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 15/4885KMT2A 3328/4885MEN1 4785/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 EPHX2 15/4885KMT2A 3328/4885MEN1 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.

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