SCHEMBL6686338

SCHEMBL6686338

CCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4c[nH]cn4)cc3)C(=O)OC2CC)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.40
PDE4A P27815 8/20 0.40
PDE4B Q07343 8/20 0.40
PDE4C Q08493 8/20 0.40
CFTR P13569 1/20 0.40
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
INSR P06213 2/20 0.37
ALK Q9UM73 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL6843889 0.97 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6684573 0.96 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6688282 0.95 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6687107 0.93 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6686947 0.92 INSR (0.37) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6683831 0.91 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6690277 0.91 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6692828 0.90 PDE4A (0.40) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6686722 0.90 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CCFTR
SCHEMBL6683785 0.90 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CCFTR

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.