SCHEMBL2591016

SCHEMBL2591016

CCOc1c(OC)ccc(-c2cccc3c2CNC3=O)c1OCC(=O)OC1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.36
GSK3A P49840 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 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
ROS1 P08922 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
RPS6KB1 P23443 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
SCHEMBL2588770 0.98 KDR (0.36) KDRGSK3ATP53MAPK1PLK4
SCHEMBL2591886 0.94 KDR (0.38) KDRTP53PLK4AURKAROCK2
SCHEMBL2589484 0.92 KDR (0.38) KDRTP53PLK4AURKAROCK2
SCHEMBL17614031 0.89 KDR (0.35) KDRPLK4AURKAROCK2MAP4K4
SCHEMBL2591337 0.89 KDR (0.40) KDRGSK3APLK4AURKAROCK2
SCHEMBL14737000 0.89 PIK3CD (0.34) KDRGSK3APLK4AURKAROCK2
SCHEMBL2588622 0.88 KDR (0.38) KDRPLK4AURKAROCK2MAP4K4
SCHEMBL2588335 0.86 KDR (0.34) KDRGSK3APLK4AURKAROCK2
SCHEMBL2593971 0.85 ALDH1A1 (0.43) TP53MAPK1RAB9AMEN1KMT2A
SCHEMBL2589037 0.85 KDR (0.36) KDRGSK3AMAPK1PLK4AURKA

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 1971/4885GSK3A 354/4885TP53 4592/4885

“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.