SCHEMBL2581582

SCHEMBL2581582

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC(=O)OC(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.39
MAPKAPK2 P49137 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
PRKCI P41743 1/20 0.37
MAPT P10636 2/20 0.37
TARS1 P26639 1/20 0.36
TDP2 O95551 2/20 0.36
PRF1 P14222 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BRAF P15056 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 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
SCHEMBL2583786 0.93 POLQ (0.37) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2593059 0.92 POLQ (0.39) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2581983 0.90 POLQ (0.42) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2592888 0.89 POLQ (0.38) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2592916 0.87 POLQ (0.41) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2591041 0.86 POLQ (0.38) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL14735760 0.86 GSK3B (0.42) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2591177 0.85 POLQ (0.38) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2590153 0.85 PRKCI (0.37) POLQMAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2590843 0.85 MAPT (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.