SCHEMBL2592012

SCHEMBL2592012

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC2(C(=O)OC(C)C)CC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.38
TDP2 O95551 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
GSK3B P49841 2/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
POLQ O75417 1/20 0.36
TARS1 P26639 1/20 0.35
PRF1 P14222 2/20 0.35
BRAF P15056 1/20 0.34
PRKCI P41743 1/20 0.34
KDR P35968 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL2585752 0.91 PDE4D (0.41) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2593296 0.90 TDP2 (0.40) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2584640 0.88 PDE4D (0.40) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2589179 0.87 GSK3B (0.39) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2588720 0.86 PDE4D (0.41) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2591843 0.86 PDE4D (0.41) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2592614 0.85 PDE4D (0.39) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2592267 0.85 PDE4D (0.36) PDE4DTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2591760 0.85 TUBB4A (0.40) PDE4DHSD17B10ADORA1ALDH1A1HPGD
SCHEMBL2592943 0.84 PDE4D (0.37) PDE4DTDP2MAPKAPK2GSK3BDAPK3

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 PDE4D 10/4885TDP2 54/4885MAPKAPK2 2431/4885

“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.