SCHEMBL9104899

SCHEMBL9104899

CC(C)(C)OC(=O)Nc1ccn2nc(N3CCCC3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
NR1I3 Q14994 2/20 0.39
CYP17A1 P05093 2/20 0.39
PDE10A Q9Y233 4/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
DGAT1 O75907 1/20 0.38
PRKDC P78527 1/20 0.37
BRD4 O60885 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
SUV39H2 Q9H5I1 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
SCHEMBL9109695 0.90 PRKDC (0.48) PDE10AMAPTCA12CA1CA9
SCHEMBL22162968 0.81 CA12 (0.44) CYP17A1CA12CA1CA9DGAT1
SCHEMBL9105837 0.80 CA12 (0.41) CYP17A1CA12CA1CA9DGAT1
SCHEMBL9104904 0.78 SUV39H2 (0.40) NR1I3CYP17A1CA12CA1CA9
SCHEMBL9108132 0.78 CA12 (0.40) CYP17A1CA12CA1CA9DGAT1
SCHEMBL31422624 0.76 CA12 (0.38) CYP17A1CA12CA1CA9DGAT1
SCHEMBL9104233 0.76 CYP17A1 (0.46) CYP17A1PDE10ABRD4EGLN2ACSS2
SCHEMBL9110464 0.76 DGAT1 (0.40) ACHEBACE1NR1I3CYP17A1CA12
SCHEMBL9105963 0.76 CYP17A1 (0.40) NR1I3CYP17A1CA12CA1CA9
SCHEMBL9108962 0.75 ADORA3 (0.43) CYP17A1RAB9ACA12CA1CA9

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 ACHE 212/4885BACE1 3218/4885NR1I3 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.