SCHEMBL12872702

SCHEMBL12872702

CC(C)(C)OC(=O)Nc1ccc(-c2nnc3c(Br)cccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.45
▸ CYP17A1 P05093 3/20 0.45
▸ PSMB8 P28062 1/20 0.43
▸ BCL2 P10415 8/20 0.42
▸ BECN1 Q14457 6/20 0.42
▸ BRD9 Q9H8M2 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ TTK P33981 1/20 0.39

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
SCHEMBL1179762 0.87 BRD9 (0.44) BRD4CYP17A1PSMB8BCL2BECN1
SCHEMBL1179940 0.86 BRD4 (0.43) BRD4CYP17A1PSMB8BCL2BECN1
SCHEMBL1180265 0.83 SMO (0.40) NAMPT
SCHEMBL1179959 0.80 CYP17A1 (0.48) BRD4CYP17A1PSMB8BRD9NAMPT
SCHEMBL1180515 0.79 CYP17A1 (0.45) BRD4CYP17A1PSMB8BCL2BECN1
SCHEMBL12872573 0.79 GPR139 (0.38) BRD4CYP17A1PSMB8BCL2BECN1
SCHEMBL1180234 0.79 ADAMTS4 (0.41) BRD4CYP17A1GPR139
SCHEMBL1180238 0.79 ADAMTS4 (0.41) BRD4CYP17A1GPR139
SCHEMBL12872574 0.77 CYP17A1 (0.40) BRD4CYP17A1PSMB8BCL2BECN1
SCHEMBL1180453 0.74 HPGD (0.41) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-8324241-B2 Triazolo compounds useful as DGAT1 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
US-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2011-02-10 — — US disclosed
WO-2009126624-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 — — WO 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-20110034468-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 BRD4 1858/4885CYP17A1 1538/4885PSMB8 4481/4885

“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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