SCHEMBL9104904

SCHEMBL9104904

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 3/20 0.40
PCSK9 Q8NBP7 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
BRD4 O60885 2/20 0.38
CYP17A1 P05093 4/20 0.38
EGLN2 Q96KS0 1/20 0.38
NAMPT P43490 2/20 0.38
MAPK14 Q16539 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
DGAT1 O75907 1/20 0.37
NR1I3 Q14994 1/20 0.37
TTK P33981 1/20 0.36
KAT6A Q92794 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
SCHEMBL22162968 0.84 CA12 (0.44) SUV39H2PCSK9CA12CA1CA9
SCHEMBL9105837 0.83 CA12 (0.41) SUV39H2PCSK9CA12CA1CA9
SCHEMBL9108132 0.81 CA12 (0.40) SUV39H2PCSK9CA12CA1CA9
SCHEMBL9104233 0.79 CYP17A1 (0.46) BRD4CYP17A1EGLN2NAMPTACSS2
SCHEMBL31422624 0.79 CA12 (0.38) SUV39H2CA12CA1CA9BRD4
SCHEMBL9104899 0.78 ACHE (0.40) SUV39H2CA12CA1CA9BRD4
SCHEMBL9105963 0.78 CYP17A1 (0.40) SUV39H2PCSK9CA12CA1CA9
SCHEMBL9108962 0.77 ADORA3 (0.43) CA12CA1CA9BRD4CYP17A1
SCHEMBL9110464 0.77 DGAT1 (0.40) CA12CA1CA9BRD4CYP17A1
SCHEMBL30781533 0.77 ACSS2 (0.37) SUV39H2CA12CA1CA9BRD4

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 11 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
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
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 SUV39H2 3613/4885PCSK9 83/4885CA12 4084/4885

“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.