Sugi Predict

Sugi Predict / Compounds / SCHEMBL2594049

SCHEMBL2594049

SCHEMBL2594049

COc1ccc(-c2cccc3c2CNC3=O)c(OC2(C(=O)OCC3CCC3)CC2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1C Q14123 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDR P35968 6/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 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

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
SCHEMBL14737175 0.96 KDR (0.34) PDE1CMEN1KMT2AKDRHDAC4
SCHEMBL2591389 0.88 KDR (0.38) MEN1KMT2AKDRHDAC4HDAC2
SCHEMBL2593179 0.87 PDE1C (0.34) PDE1CMEN1KMT2AKDRHDAC4
SCHEMBL2591824 0.87 KDR (0.37) MEN1KMT2AKDRHDAC4HDAC2
SCHEMBL2589602 0.87 TP53 (0.39) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL14736879 0.86 PDE1C (0.35) PDE1CMEN1KMT2AKDRHDAC4
SCHEMBL2589181 0.86 ALDH1A1 (0.43) PDE1CMEN1KMT2AHDAC4HDAC2
SCHEMBL2591018 0.86 KDR (0.35) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2589375 0.85 KDR (0.40) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2588645 0.85 PDE4D (0.37) PDE1CMEN1KMT2AHDAC4HDAC2

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 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.