SCHEMBL9104943

SCHEMBL9104943

COC1CN(C(=O)c2cnn(C)c2C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.42
PDE10A Q9Y233 7/20 0.41
CCNC P24863 6/20 0.40
CDK8 P49336 6/20 0.40
CDK19 Q9BWU1 2/20 0.39
RIPK1 Q13546 1/20 0.37
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL11888917 0.84 PDE10A (0.39) PDE10ACCNCCDK8
SCHEMBL2384701 0.83 PDE10A (0.50) SPRPDE10A
SCHEMBL1458202 0.78 PDE10A (0.50) PDE10A
SCHEMBL9106126 0.78 POLB (0.49) PDE10A
SCHEMBL1457781 0.77 PLAT (0.43) PDE10ACCNCCDK8JAK2NTRK1
SCHEMBL14672263 0.77 POLB (0.47) PDE10A
SCHEMBL9104762 0.77 L3MBTL1 (0.51) PDE10A
SCHEMBL1458473 0.76 L3MBTL3 (0.43)
SCHEMBL11889054 0.75 KMT2A (0.46) PDE10A
SCHEMBL1458472 0.74 HTT (0.52) PDE10A

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 SPR 968/4885PDE10A 7/4885CCNC 3432/4885

“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.