SCHEMBL19294222

SCHEMBL19294222

Cc1ccc(CSc2cc(N)nc3[nH]nnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SCN9A Q15858 1/20 0.48
▸ RECQL P46063 1/20 0.46
▸ MPO P05164 9/20 0.43
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 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
SCHEMBL19282209 0.87 KMT2A (0.52) RAB9AMEN1KMT2ASCN9AMPO
SCHEMBL19294221 0.87 NPC1 (0.50) RAB9ASCN9AMPONPC1SMN1; SMN2
SCHEMBL19282260 0.86 NPC1 (0.43) RAB9AMEN1KMT2AMPOALDH1A1
SCHEMBL19282224 0.82 MPO (0.67) RAB9AMEN1KMT2ASCN9AMPO
SCHEMBL20429915 0.82 MPO (0.46) MPO
SCHEMBL20429882 0.82 SMN1; SMN2 (0.46) KMT2AMPOALDH1A1SMN1; SMN2TP53
SCHEMBL19282278 0.81 SCN9A (0.54) SCN9AMPOTP53
SCHEMBL19294227 0.80 MPO (0.66) RAB9AMPO
SCHEMBL20429877 0.79 MPO (0.51) RAB9AMEN1KMT2AMPOALDH1A1
SCHEMBL20429890 0.79 MPO (0.50) MPOALDH1A1SMN1; SMN2TP53

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 RAB9A 4260/4885MEN1 4776/4885KMT2A 1894/4885

“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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