SCHEMBL9108962

SCHEMBL9108962

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP17A1 P05093 1/20 0.37

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 0.83 CA12 (0.44) CA12CA1CA9ACSS2BRD4
SCHEMBL9105837 0.79 CA12 (0.41) CA12CA1CA9ACSS2BRD4
SCHEMBL9105963 0.79 CYP17A1 (0.40) CA12CA1CA9ACSS2BRD4
SCHEMBL15688943 0.78 ACSS2 (0.41) ADORA3CA12CA1CA9ACSS2
SCHEMBL9108132 0.77 CA12 (0.40) CA12CA1CA9ACSS2BRD4
SCHEMBL9104904 0.77 SUV39H2 (0.40) CA12CA1CA9ACSS2BRD4
SCHEMBL19538630 0.77 ACSS2 (0.40) ADORA3CA12CA1CA9ACSS2
SCHEMBL3074388 0.76 ACSS2 (0.41) ADORA3CA12CA1CA9ACSS2
SCHEMBL31422624 0.76 CA12 (0.38) CA12CA1CA9ACSS2BRD4
SCHEMBL9104233 0.76 CYP17A1 (0.46) ACSS2BRD4CYP17A1

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 ADORA3 132/4885CA12 4084/4885CA1 3439/4885

“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.