SCHEMBL9118465

SCHEMBL9118465

CC(C)(C)OC(=O)Nc1ccn2nc(NCC3CC3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
DGAT1 O75907 1/20 0.39
TTK P33981 1/20 0.38
ACACB O00763 7/20 0.38
ACACA Q13085 5/20 0.38
DRD2 P14416 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
CYP17A1 P05093 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
MAPK14 Q16539 1/20 0.36
F10 P00742 2/20 0.36
ACSS2 Q9NR19 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 0.78 CA12 (0.44) DGAT1TTKCA12CA1CA9
SCHEMBL9110464 0.77 DGAT1 (0.40) DGAT1CA12CA1CA9CYP17A1
SCHEMBL9105837 0.77 CA12 (0.41) DGAT1TTKCA12CA1CA9
SCHEMBL9104904 0.75 SUV39H2 (0.40) DGAT1TTKCA12CA1CA9
SCHEMBL9108132 0.75 CA12 (0.40) DGAT1TTKCA12CA1CA9
SCHEMBL9104899 0.74 ACHE (0.40) DGAT1CA12CA1CA9CYP17A1
SCHEMBL9105963 0.74 CYP17A1 (0.40) DGAT1CA12CA1CA9CYP17A1
SCHEMBL9108864 0.74 PDE10A (0.46)
SCHEMBL9108962 0.74 ADORA3 (0.43) ADORA2ACA12CA1CA9CYP17A1
SCHEMBL9104233 0.73 CYP17A1 (0.46) TTKCYP17A1ACSS2

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
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
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

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 ADORA2A 496/4885ADORA2B 340/4885ADORA1 401/4885

“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.