SCHEMBL2589009

SCHEMBL2589009

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCCOC(=O)C2CCCCC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
POLQ O75417 1/20 0.36
HPGD P15428 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TP53BP1 Q12888 1/20 0.34
PRKCI P41743 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 2/20 0.34
TDP2 O95551 1/20 0.34
PRF1 P14222 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL2591575 0.99 GSK3B (0.41) GSK3BPOLQHPGDMAPKAPK2DAPK3
SCHEMBL2591428 0.97 GSK3B (0.41) GSK3BPOLQHPGDMAPKAPK2DAPK3
SCHEMBL2592504 0.95 GSK3B (0.45) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL2588132 0.91 GSK3B (0.39) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL17613928 0.91 GSK3B (0.41) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL17614004 0.90 GSK3B (0.41) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL2589583 0.87 HPGD (0.45) GSK3BPOLQHPGDMAPKAPK2DAPK3
SCHEMBL14737168 0.87 GSK3B (0.38) GSK3BPOLQHPGDMAPKAPK2DAPK3
SCHEMBL14737972 0.86 HSD17B1 (0.43) HPGDNPC1RAB9ACNR2
SCHEMBL14737382 0.86 HSD17B1 (0.43) HPGDNPC1RAB9ACNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 350/4885POLQ 1717/4885HPGD 1088/4885

“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.