SCHEMBL2591133

SCHEMBL2591133

CCOC(=O)C1(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
GSK3B P49841 2/20 0.38
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
PDE4D Q08499 1/20 0.37
TDP2 O95551 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
PRKCI P41743 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRF1 P14222 2/20 0.34
KIT P10721 1/20 0.33
BRAF P15056 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL2591396 0.96 POLQ (0.37) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2588539 0.93 PDE4D (0.38) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2591397 0.92 POLQ (0.40) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL14736907 0.91 PDE4D (0.40) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2586322 0.90 POLQ (0.35) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2591236 0.90 PDE4D (0.39) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2584422 0.90 PDE4D (0.38) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2591418 0.89 GSK3B (0.35) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2593282 0.89 POLQ (0.35) POLQGSK3BDAPK3NTRK1PIM1
SCHEMBL2592943 0.88 PDE4D (0.37) POLQGSK3BDAPK3NTRK1PIM1

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 POLQ 1717/4885GSK3B 350/4885DAPK3 1367/4885

“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.