SCHEMBL6684019

SCHEMBL6684019

CCC1SC(=O)N(Cc2ccc(NC(=O)c3ccncc3)cc2)N=C1c1ccc(OC)c(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.44
PDE4D Q08499 8/20 0.43
PDE4B Q07343 7/20 0.43
PDE4A P27815 6/20 0.43
PDE4C Q08493 6/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.40
NAMPT P43490 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6689759 0.97 ABL1 (0.44) ABL1PDE4DPDE4BPDE4APDE4C
SCHEMBL6689567 0.93 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL143125 0.92 ABL1 (0.46) ABL1PDE4DPDE4BPDE4APDE4C
SCHEMBL8440097 0.90 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL6685355 0.90 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL6657798 0.90 NPC1 (0.45) ABL1PDE4DPDE4BPDE4APDE4C
SCHEMBL6660569 0.90 PDE4D (0.41) ABL1PDE4DPDE4BPDE4APDE4C
SCHEMBL6688001 0.90 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL6690768 0.90 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL7802776 0.89 PDE4D (0.44) PDE4DPDE4BPDE4APDE4C

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 ABL1 4398/4885PDE4D 12/4885PDE4B 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.