SCHEMBL22424025

SCHEMBL22424025

CC(CCC(N)Cc1ccccc1)c1cc(N)nc2[nH]nnc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 5/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ EPHX1 P07099 1/20 0.36
▸ SLC6A2 P23975 2/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TPO P07202 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ AKT1 P31749 2/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL22423844 0.89 MPO (0.43) MPOCYP3A4SLC6A2TAAR1SIGMAR1
SCHEMBL19381017 0.86 MPO (0.50) MPOCYP3A4EPHX1TPOCYP1A2
SCHEMBL22423930 0.85 MPO (0.47) MPOCYP3A4TPOCYP2D6
SCHEMBL22423931 0.82 MPO (0.50) MPOCYP3A4TPO
SCHEMBL19359393 0.80 MPO (0.62) MPOCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL19359405 0.76 MPO (0.46) MPOCYP3A4TPOCYP1A2
SCHEMBL22423855 0.76 MPO (0.39) MPOCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL22406622 0.76 MPO (0.48) MPOCYP3A4TPO
SCHEMBL22406459 0.76 MPO (0.51) MPOCYP3A4TPO
SCHEMBL19359469 0.75 MPO (0.38) MPOCYP3A4TPO

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 MPO 2/4885CYP3A4 570/4885EPHX1 4/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885EPHX1 4/4885

“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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