SCHEMBL439694

SCHEMBL439694

COc1cc(C(Oc2ccc3c(cnn3-c3ccccn3)c2)C(C)N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
NR3C1 P04150 17/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
PGR P06401 3/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL413195 0.90 PDE10A (0.41) PDE10ANR3C1IRAK4PGRLRRK2
SCHEMBL413181 0.89 NR3C1 (0.49) PDE10ANR3C1IRAK4PGR
SCHEMBL837324 0.87 NR3C1 (0.49) PDE10ANR3C1IRAK4PGR
SCHEMBL851374 0.87 NR3C1 (0.49) PDE10ANR3C1IRAK4PGR
SCHEMBL413192 0.84 NR3C1 (0.45) NR3C1PGR
SCHEMBL442110 0.82 NR3C1 (0.60) PDE10ANR3C1PGR
SCHEMBL28785127 0.80 PDE10A (0.54) PDE10ANR3C1IRAK4
SCHEMBL411954 0.79 NR3C1 (0.50) PDE10ANR3C1PGR
SCHEMBL837279 0.79 NR3C1 (0.52) NR3C1PGR
SCHEMBL851379 0.79 NR3C1 (0.52) NR3C1PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 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 (2 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R PDE10A 315/4885NR3C1 1/4885IRAK4 1721/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R PDE10A 304/4885NR3C1 1/4885IRAK4 1706/4885

“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.