SCHEMBL9104422

SCHEMBL9104422

CN(CCF)c1nc2cc(NC(=O)OC(C)(C)C)ccn2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
SYK P43405 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
BRD4 O60885 1/20 0.35
CYP17A1 P05093 3/20 0.35
EGLN2 Q96KS0 3/20 0.35
NR1I3 Q14994 2/20 0.35
RORC P51449 2/20 0.35
PCSK9 Q8NBP7 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL9105963 0.88 CYP17A1 (0.40) MAPK14ACSS2CA12CA1CA9
SCHEMBL9108132 0.87 CA12 (0.40) MAPK14ACSS2CA12CA1CA9
SCHEMBL9110464 0.84 DGAT1 (0.40) MAPK14ACSS2CA12CA1CA9
SCHEMBL31422624 0.83 CA12 (0.38) MAPK14ACSS2CA12CA1CA9
SCHEMBL30781533 0.80 ACSS2 (0.37) MAPK14ACSS2CA12CA1CA9
SCHEMBL22162968 0.79 CA12 (0.44) MAPK14ACSS2CA12CA1CA9
SCHEMBL9105837 0.78 CA12 (0.41) MAPK14ACSS2CA12CA1CA9
SCHEMBL9104904 0.76 SUV39H2 (0.40) MAPK14ACSS2CA12CA1CA9
SCHEMBL9108962 0.74 ADORA3 (0.43) MAPK14ACSS2CA12CA1CA9
SCHEMBL9104233 0.74 CYP17A1 (0.46) ACSS2BRD4CYP17A1EGLN2

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 MAPK14 2931/4885ACSS2 2394/4885SYK 2088/4885

“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.