SCHEMBL6689832

SCHEMBL6689832

CCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4ccncc4)cc3)C(=O)SC2CC)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.45
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 4/20 0.42
NAMPT P43490 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CFTR P13569 1/20 0.41
MEN1 O00255 3/20 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
SCHEMBL6685355 0.97 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6689567 0.95 PDE4D (0.49) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6690768 0.95 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL8440097 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL147907 0.92 ABCB1 (0.44) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6684329 0.91 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6690228 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6689759 0.90 ABL1 (0.44) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL6657619 0.90 NPC1 (0.46) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL6654062 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPOLB

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 6 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
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP 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.