SCHEMBL285480

SCHEMBL285480

CCCCc1noc(C)c1CN

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.36
TLR7 Q9NYK1 3/20 0.36
DPP4 P27487 1/20 0.35
MLYCD O95822 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL15255830 0.85 TLR8 (0.34) TLR8TLR7MLYCDTP53GAA
SCHEMBL8995000 0.82 TLR8 (0.38) TLR8TLR7TP53GAA
SCHEMBL109295 0.81 GCGR (0.35) TLR8TLR7MLYCDTP53GAA
SCHEMBL285798 0.81 LMNA (0.33) TLR8TLR7MLYCDTP53GAA
SCHEMBL21406403 0.80 NPSR1 (0.34)
SCHEMBL285375 0.76 GCGR (0.40) TLR8TLR7
SCHEMBL3189527 0.75 TLR8 (0.42) TLR8TLR7TP53GAA
SCHEMBL2616802 0.74 LMNA (0.43) TLR8TLR7TP53GAA
SCHEMBL196224 0.73 TP53 (0.34) MLYCDTP53GAA
SCHEMBL27865424 0.73 TP53 (0.30) TP53GAA

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-2427457-B1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS HOFFMANN LA ROCHE (CH) 2013-07-17 EP disclosed
US-8357703-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-01-22 US disclosed
EP-2427457-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127978-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286117-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 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-20100286117-A1 PYRIDINES GABRA5, GABRA1, GABRA4 TLR8 2545/4885TLR7 638/4885DPP4 2540/4885

“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.