SCHEMBL9105963

SCHEMBL9105963

CCN(C)c1nc2cc(NC(=O)OC(C)(C)C)ccn2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.40
ACSS2 Q9NR19 1/20 0.40
NR1I3 Q14994 3/20 0.39
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
SUV39H2 Q9H5I1 3/20 0.37
BRD4 O60885 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
IDO1 P14902 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
DGAT1 O75907 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
SCHEMBL9108132 0.90 CA12 (0.40) CYP17A1ACSS2MAPK14CA12CA1
SCHEMBL9104422 0.88 MAPK14 (0.36) CYP17A1ACSS2NR1I3MAPK14CA12
SCHEMBL9110464 0.87 DGAT1 (0.40) CYP17A1ACSS2NR1I3MAPK14CA12
SCHEMBL31422624 0.85 CA12 (0.38) CYP17A1ACSS2MAPK14CA12CA1
SCHEMBL30781533 0.83 ACSS2 (0.37) CYP17A1ACSS2MAPK14CA12CA1
SCHEMBL22162968 0.81 CA12 (0.44) CYP17A1ACSS2MAPK14CA12CA1
SCHEMBL9105837 0.80 CA12 (0.41) CYP17A1ACSS2MAPK14CA12CA1
SCHEMBL9108962 0.79 ADORA3 (0.43) CYP17A1ACSS2MAPK14CA12CA1
SCHEMBL9104904 0.78 SUV39H2 (0.40) CYP17A1ACSS2NR1I3MAPK14CA12
SCHEMBL9104233 0.76 CYP17A1 (0.46) CYP17A1ACSS2BRD4EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B CYP17A1 1345/4885ACSS2 2394/4885NR1I3 1868/4885

“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.