SCHEMBL14737629

SCHEMBL14737629

COc1ccc(-c2cccc3c2CNC3=O)c(OCC(C)(C)OC(=O)C2CCOCC2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
KDR P35968 9/20 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
FLT4 P35916 2/20 0.32
FLT3 P36888 2/20 0.32
FRK P42685 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
SCHEMBL14737388 0.94 KDR (0.35) KDRKDM4EALDH1A1HSD17B10TDP1
SCHEMBL14737791 0.92 KDR (0.34) KDRKDM4EALDH1A1HSD17B10TDP1
SCHEMBL14737799 0.92 KDR (0.34) KDRKDM4EALDH1A1HSD17B10TDP1
SCHEMBL14737176 0.92 KDR (0.33) KDRALDH1A1HDAC4HDAC2HDAC8
SCHEMBL14750376 0.86 PDE4D (0.37) GSK3BKDM4ETDP1HDAC4HDAC2
SCHEMBL2586053 0.86 KDM4E (0.42) GSK3BKDM4EALDH1A1HSD17B10TDP1
SCHEMBL2589282 0.86 HDAC4 (0.37) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2591767 0.85 PDE4D (0.35) GSK3BKDRKDM4EALDH1A1HSD17B10
SCHEMBL14737173 0.84 GSK3B (0.38) GSK3BNTRK1FLT3ROCK1CLK4
SCHEMBL14734740 0.83 KDR (0.36) KDRHDAC4HDAC2HDAC8PLK4

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 7 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

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 350/4885KDR 1971/4885KDM4E 1593/4885

“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.