SCHEMBL2594611

SCHEMBL2594611

CCNC(=O)OCC1(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)COC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.36
GSK3B P49841 2/20 0.34
PRKCI P41743 1/20 0.34
TDP2 O95551 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
KIT P10721 2/20 0.33
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SYK P43405 1/20 0.32
TSHR P16473 1/20 0.32
PRF1 P14222 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL2589708 0.86 GSK3B (0.40) POLQGSK3BPRKCITDP2MAPKAPK2
SCHEMBL14735827 0.86 PDE4D (0.41) PRF1
SCHEMBL2592837 0.85 TDP2 (0.38) POLQGSK3BPRKCITDP2MAPKAPK2
SCHEMBL2594193 0.82 POLQ (0.37) POLQGSK3BPRKCITDP2MAPKAPK2
SCHEMBL7714379 0.78 GSK3B (0.39) POLQGSK3BPRKCIMAPKAPK2DAPK3
SCHEMBL2591397 0.78 POLQ (0.40) POLQGSK3BPRKCITDP2MAPKAPK2
SCHEMBL2583644 0.78 GSK3B (0.39) POLQGSK3BPRKCITDP2MAPKAPK2
SCHEMBL2591133 0.78 POLQ (0.38) POLQGSK3BPRKCITDP2MAPKAPK2
SCHEMBL7715046 0.78 PRF1 (0.38) POLQTSHRPRF1
SCHEMBL2593960 0.77 POLQ (0.35) POLQGSK3BPRKCITDP2MAPKAPK2

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 15 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 claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
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 POLQ 1717/4885GSK3B 350/4885PRKCI 676/4885

“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.