SCHEMBL6691081

SCHEMBL6691081

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.41
PDE4A P27815 14/20 0.41
PDE4B Q07343 14/20 0.41
PDE4C Q08493 14/20 0.41
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
CFTR P13569 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
SCHEMBL6657042 0.97 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6656741 0.93 SMN1; SMN2 (0.45) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6662790 0.93 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6660120 0.91 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6663528 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6656590 0.91 SMN1; SMN2 (0.45) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6656610 0.90 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6656696 0.90 NPC1 (0.42) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6688001 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6660569 0.90 PDE4D (0.41) 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 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.