SCHEMBL2591843

SCHEMBL2591843

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC2(C(=O)OC3CCC3)CC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.41
GSK3B P49841 2/20 0.38
TDP2 O95551 2/20 0.37
MAPKAPK2 P49137 1/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
POLQ O75417 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CHEK1 O14757 1/20 0.35
PRF1 P14222 1/20 0.35
LRRK2 Q5S007 1/20 0.35
TP53 P04637 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL2588720 0.98 PDE4D (0.41) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2593296 0.91 TDP2 (0.40) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2584258 0.89 PDE4D (0.39) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2581818 0.89 PDE1C (0.35) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2584298 0.88 PDE4D (0.39) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2591320 0.87 PDE4D (0.39) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2591998 0.86 POLQ (0.37) GSK3BTDP2MAPKAPK2DAPK3NTRK1
SCHEMBL2591719 0.86 PDE4D (0.39) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2592794 0.86 PDE4D (0.39) PDE4DGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2592012 0.86 PDE4D (0.38) PDE4DGSK3BTDP2MAPKAPK2DAPK3

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-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-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
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 350/4885TDP2 54/4885

“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.