SCHEMBL19294227

SCHEMBL19294227

Cc1ccc2nc(CSc3cc(N)nc4[nH]nnc34)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 16/20 0.66
▸ NCK1 P16333 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CYP1A2 P05177 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL20420879 0.83 MPO (0.46) MPO
SCHEMBL19282262 0.83 MPO (0.47) MPOCYP1A2RAB9A
SCHEMBL19294222 0.80 RAB9A (0.52) MPORAB9A
SCHEMBL19282354 0.78 MPO (0.60) MPO
SCHEMBL20429915 0.78 MPO (0.46) MPO
SCHEMBL20429882 0.76 SMN1; SMN2 (0.46) MPOCYP1A2
SCHEMBL20429877 0.75 MPO (0.51) MPORAB9A
SCHEMBL20429890 0.75 MPO (0.50) MPO
SCHEMBL19282195 0.75 MPO (0.63) MPO
SCHEMBL19297856 0.74 MPO (0.38) MPO

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 1 patent. 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

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 2/4885NCK1 3003/4885BACE1 2674/4885

“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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