SCHEMBL6675907

SCHEMBL6675907

COc1ccc(C2=NN(Cc3ccc(NC(=O)CCN4CCOCC4)cc3)C(=O)SC2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.48
PDE4A P27815 7/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
MET P08581 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PAK1 Q13153 1/20 0.42
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6837244 0.94 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6654582 0.94 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6661025 0.93 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6844113 0.92 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6841706 0.92 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6660949 0.92 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6656581 0.92 PDE4A (0.45) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6843905 0.91 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6844122 0.90 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CMET
SCHEMBL6660176 0.90 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CPDE3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1564687-A Use of phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2005-01-12 CN disclosed
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4D 12/4885PDE4A 1/4885PDE4B 4/4885

“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.