SCHEMBL6654629

SCHEMBL6654629

CCC1SC(=O)N(Cc2ccc(NC(=O)c3ncccn3)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.51
PDE4A P27815 18/20 0.51
PDE4B Q07343 17/20 0.51
PDE4C Q08493 17/20 0.51
POLB P06746 1/20 0.41

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
SCHEMBL6841958 0.94 PDE4B (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL6660923 0.93 PDE4A (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL6662790 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL6663528 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL6656329 0.90 PDE4A (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL6842620 0.90 PDE4A (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7802865 0.90 PDE4A (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7792755 0.90 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7798856 0.90 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL144875 0.89 PDE4A (0.49) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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.