SCHEMBL2592472

SCHEMBL2592472

COc1ccc(-c2cccc3c2CNC3=O)c(OCC(C)(C)C(=O)OC2CCOCC2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.34
PDE4D Q08499 5/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PLK4 O00444 2/20 0.32
ROCK2 O75116 2/20 0.32
NTRK1 P04629 2/20 0.32
MET P08581 2/20 0.32
ROS1 P08922 2/20 0.32
RPS6KB1 P23443 2/20 0.32
EPHA2 P29317 2/20 0.32
AXL P30530 2/20 0.32

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
SCHEMBL14737859 0.95 PDE4D (0.35) KDRPDE4DPDE4APDE4BPDE4C
SCHEMBL14734702 0.95 PDE4D (0.35) KDRPDE4DPDE4APDE4BPDE4C
SCHEMBL2594434 0.93 KDR (0.36) KDRPDE4DPDE4APDE4BPDE4C
SCHEMBL2590917 0.93 KDR (0.36) KDRKDM4EALDH1A1HSD17B10TDP1
SCHEMBL2592582 0.92 TP53 (0.37) KDRPDE4DPDE4APDE4BPDE4C
SCHEMBL2592134 0.92 TP53 (0.37) KDRPDE4DPDE4APDE4BPDE4C
SCHEMBL2581839 0.86 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2591914 0.86 KDM4E (0.42) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL2588227 0.86 KDR (0.39) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2592333 0.84 GSK3B (0.36) PDE4DPDE4APDE4BPDE4CNTRK1

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 KDR 1971/4885PDE4D 10/4885PDE4A 3/4885

“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.