SCHEMBL2593476

SCHEMBL2593476

CCCCCC(=O)Oc1c(-c2ccc3c(c2)CNC3=O)ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
RET P07949 1/20 0.40
TDP2 O95551 2/20 0.39
F3 P13726 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3B P49841 2/20 0.38
DAPK3 O43293 1/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
FLT3 P36888 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
POLQ O75417 1/20 0.37
ALOX15 P16050 1/20 0.36
PRF1 P14222 1/20 0.36
ADORA1 P30542 1/20 0.36
EPHX2 P34913 1/20 0.35
BRAF P15056 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL14737111 0.97 TDP2 (0.39) TOP2ARETTDP2F3MAPKAPK2
SCHEMBL14737062 0.88 PDE4A (0.36) TDP2MAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2591973 0.86 POLQ (0.35) TOP2ARETTDP2F3MAPKAPK2
SCHEMBL2591158 0.85 PDE4A (0.37) TDP2MAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2584133 0.85 TDP2 (0.36) TOP2ARETTDP2MAPKAPK2GSK3B
SCHEMBL14737065 0.84 HSD17B1 (0.46) TOP2ARETF3ALOX15ADORA1
SCHEMBL2593374 0.84 PRF1 (0.40) TDP2MAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL2594355 0.84 MAPKAPK2 (0.39) TDP2MAPKAPK2GSK3BDAPK3NTRK1
SCHEMBL14737469 0.84 HPGD (0.46) TDP2MAPKAPK2GSK3BPRF1
SCHEMBL2592055 0.83 POLQ (0.35) TDP2MAPKAPK2GSK3BDAPK3NTRK1

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
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
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 TOP2A 313/4885RET 3865/4885TDP2 54/4885

“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.