SCHEMBL2589503

SCHEMBL2589503

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC2(C(=O)OC3CCOCC3)CCC2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.40
GSK3B P49841 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
POLQ O75417 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
LRRK2 Q5S007 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
TDP2 O95551 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
SCHEMBL2589278 0.97 PDE4D (0.41) PDE4DGSK3BTBK1POLQPDE4A
SCHEMBL2594414 0.95 PDE4D (0.41) PDE4DGSK3BPDE4APDE4BPDE4C
SCHEMBL14737005 0.95 PDE4D (0.41) PDE4DGSK3BPDE4APDE4BPDE4C
SCHEMBL2589486 0.95 PDE4D (0.41) PDE4DGSK3BPDE4APDE4BPDE4C
SCHEMBL2584258 0.94 PDE4D (0.39) PDE4DGSK3BPOLQLRRK2MAPKAPK2
SCHEMBL2591320 0.94 PDE4D (0.39) PDE4DGSK3BPOLQPDE4APDE4B
SCHEMBL2592794 0.94 PDE4D (0.39) PDE4DGSK3BPOLQPDE4APDE4B
SCHEMBL2591719 0.94 PDE4D (0.39) PDE4DGSK3BPOLQPDE4APDE4B
SCHEMBL14736699 0.92 PDE4D (0.42) PDE4DGSK3BPOLQPDE4APDE4B
SCHEMBL2593023 0.92 PDE4D (0.42) PDE4DGSK3BPOLQPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A PDE4D 10/4885GSK3B 350/4885TBK1 1514/4885

“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.