SCHEMBL22423930

SCHEMBL22423930

CC(CCCc1ccccc1)c1cc(N)nc2[nH]nnc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 8/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ POLB P06746 1/20 0.36
▸ HTR7 P34969 1/20 0.34
▸ TPO P07202 1/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ COMT P21964 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
SCHEMBL22423923 0.87 MPO (0.40) MPOCYP3A4NOS3NOS1NOS2
SCHEMBL19359534 0.86 MPO (0.65) MPOCYP3A4NOS3NOS1NOS2
SCHEMBL22423844 0.85 MPO (0.43) MPOCYP3A4TPO
SCHEMBL22424025 0.85 MPO (0.40) MPOCYP3A4TPOCYP2D6
SCHEMBL22423931 0.83 MPO (0.50) MPOCYP3A4POLBTPO
SCHEMBL22423883 0.83 MPO (0.60) MPOCYP3A4HTR7TPOCYP2D6
SCHEMBL22406452 0.81 MPO (0.55) MPOCYP3A4POLBTPO
SCHEMBL22406499 0.79 MPO (0.54) MPOCYP3A4TPO
SCHEMBL22423865 0.79 MPO (0.37) MPOCYP3A4NOS3NOS1NOS2
SCHEMBL22423884 0.77 NOS3 (0.41) MPOCYP3A4NOS3NOS1NOS2

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 570/4885NOS3 944/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MPO 2/4885CYP3A4 570/4885NOS3 944/4885

“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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