SCHEMBL2593301

SCHEMBL2593301

CCOc1c(OC)ccc(-c2cccc3c2CNC3=O)c1OCC(=O)OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
MET P08581 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
SCHEMBL2593048 0.94 KDR (0.36) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2588622 0.92 KDR (0.38) KDRPLK4AURKAROCK2MAP4K4
SCHEMBL2588615 0.89 KDR (0.36) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2589037 0.89 KDR (0.36) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2591337 0.89 KDR (0.40) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2588736 0.87 TDP1 (0.38) KDRTDP1L3MBTL1PLK4AURKA
SCHEMBL2591401 0.87 KDR (0.35) KDRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2587932 0.87 KDR (0.39) KDRPLK4AURKAROCK2MAP4K4
SCHEMBL2588335 0.86 KDR (0.34) KDRPLK4AURKAROCK2MAP4K4
SCHEMBL2594259 0.85 ALDH1A1 (0.43) TSHRTDP1L3MBTL1SMN1; SMN2KDM4E

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 1971/4885PIK3CD 1119/4885PIK3CA 1284/4885

“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.