SCHEMBL6656445

SCHEMBL6656445

COc1ccc(C2=NN(Cc3ccc(NC(=O)CN4CCOCC4)cc3)C(=O)SC2)cc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.51
WNT3A P56704 8/20 0.46
MET P08581 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
KMT2A Q03164 1/20 0.44
BRAF P15056 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6655816 0.94 PDE4D (0.57) PDE4DWNT3AMETPDE4APDE4B
SCHEMBL6655847 0.93 PDE4D (0.50) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6657122 0.93 PDE4D (0.47) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6661007 0.92 PDE4D (0.47) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6654711 0.92 PDE4B (0.46) PDE4DWNT3AMETPDE4APDE4B
SCHEMBL6655622 0.91 PDE4B (0.46) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6656318 0.90 PDE4D (0.45) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6660733 0.90 PDE4D (0.51) PDE4DWNT3AMETPDE4APDE4B
SCHEMBL6837168 0.89 PDE4D (0.54) PDE4DMETPDE4APDE4BPDE4C
SCHEMBL6661916 0.89 PDE4D (0.50) PDE4DWNT3AMETPDE4APDE4B

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 12/4885WNT3A 2985/4885MET 4676/4885

“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.