SCHEMBL19294223

SCHEMBL19294223

Nc1cc(SCc2ccccc2C(F)F)c2nn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 20/20 0.44
▸ TPO P07202 1/20 0.44
▸ EPX P11678 1/20 0.44

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
SCHEMBL19282248 0.84 MPO (0.61) MPOTPOEPX
SCHEMBL20429882 0.83 SMN1; SMN2 (0.46) MPOTPOEPX
SCHEMBL19282236 0.82 KMT2A (0.51) MPOTPOEPX
SCHEMBL19282240 0.81 MPO (0.49) MPOTPOEPX
SCHEMBL19294221 0.80 NPC1 (0.50) MPOTPOEPX
SCHEMBL19282193 0.80 MPO (0.54) MPOTPOEPX
SCHEMBL19282244 0.79 MPO (0.64) MPOTPOEPX
SCHEMBL19282323 0.79 MPO (0.54) MPOTPOEPX
SCHEMBL19282239 0.78 MPO (0.47) MPOTPOEPX
SCHEMBL17595126 0.77 MPO (0.46) MPOTPOEPX

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-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 — — US disclosed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 — — 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 (1 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-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885TPO 6/4885EPX 1/4885

“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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