SCHEMBL2591177

SCHEMBL2591177

CCCOC(=O)COc1c(-c2ccc3c(c2)CNC3=O)ccc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3B P49841 2/20 0.37
DAPK3 O43293 1/20 0.37
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
ROCK1 Q13464 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PRKCI P41743 1/20 0.36
TDP2 O95551 2/20 0.36
PRF1 P14222 1/20 0.36
KMT2A Q03164 1/20 0.35
BRAF P15056 1/20 0.35
PDE4D Q08499 1/20 0.34
ADORA1 P30542 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
POLB P06746 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
SCHEMBL14737826 0.94 ALDH1A1 (0.41) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL14734708 0.94 POLQ (0.37) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2592916 0.92 POLQ (0.41) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2581983 0.89 POLQ (0.42) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2591044 0.89 ALDH1A1 (0.39) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2592888 0.88 POLQ (0.38) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2593176 0.88 PRKCI (0.38) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2588425 0.87 POLQ (0.40) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2581828 0.87 GSK3B (0.39) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2592264 0.87 POLQ (0.41) POLQMAPKAPK2GSK3BDAPK3NTRK1

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 1717/4885MAPKAPK2 2431/4885GSK3B 350/4885

“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.