SCHEMBL14736879

SCHEMBL14736879

COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OCC3CCC3)CC2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 4/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KDR P35968 6/20 0.33
PDE4B Q07343 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ROCK1 Q13464 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 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
SCHEMBL2593179 0.97 PDE1C (0.34) PDE1CMEN1KMT2APIK3CDPIK3CA
SCHEMBL17613874 0.89 PIK3CD (0.33) PDE1CPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2591520 0.89 KDR (0.35) PIK3CDPIK3CAPIK3CBPIK3CGKDR
SCHEMBL2593067 0.88 L3MBTL1 (0.39) MEN1KMT2AKDRHDAC4HDAC2
SCHEMBL2585897 0.87 TP53 (0.37) KDRPDE4BHDAC4HDAC2HDAC8
SCHEMBL2584260 0.87 KDR (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKDR
SCHEMBL2589710 0.86 TP53 (0.38) MEN1KMT2AKDRPDE4BHDAC4
SCHEMBL14737188 0.86 ALDH1A1 (0.42) PDE1CMEN1KMT2APDE4BHDAC4
SCHEMBL2594049 0.86 PDE1C (0.34) PDE1CMEN1KMT2APIK3CDPIK3CA
SCHEMBL2594404 0.86 KDR (0.35) PIK3CDPIK3CAPIK3CBPIK3CGKDR

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 PDE1C 35/4885MEN1 3420/4885KMT2A 2533/4885

“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.