Sugi Predict

Sugi Predict / Compounds / SCHEMBL14738264

SCHEMBL14738264

SCHEMBL14738264

COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(OC(=O)C3CCC3)CC2)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.34
▸ HPGD P15428 3/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ RET P07949 1/20 0.33
▸ MET P08581 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33

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
SCHEMBL14738984 0.98 KDR (0.34) KDRHPGDHDAC4HDAC2HDAC8
SCHEMBL14737148 0.97 HPGD (0.35) KDRHPGDHDAC4HDAC2HDAC8
SCHEMBL14737981 0.96 KDR (0.35) KDRHPGDHDAC4HDAC2HDAC8
SCHEMBL14737244 0.92 GSK3B (0.35) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2593001 0.88 KDR (0.36) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2592409 0.87 HPGD (0.36) KDRHPGDHDAC4HDAC2HDAC8
SCHEMBL14734796 0.86 KDR (0.35) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2588571 0.86 KDM4E (0.44) HPGDHDAC4HDAC2HDAC8KDM4E
SCHEMBL14734775 0.86 KDR (0.35) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2593213 0.85 KDR (0.34) 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 8 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-8852630-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2014-10-07 — — 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
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 KDR 1971/4885HPGD 1088/4885HDAC4 105/4885

“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.