SCHEMBL4707908

SCHEMBL4707908

CC(=O)c1c(-c2ccccc2)nn(CC2CC2)c(=O)c1Nc1ccc(CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.61
CREBBP Q92793 7/20 0.44
BRD4 O60885 6/20 0.44
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
HTR1A P08908 3/20 0.41
PTGIR P43119 2/20 0.40
EP300 Q09472 1/20 0.39
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 1/20 0.39
LRRK2 Q5S007 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
SCHEMBL3026974 0.91 PDE4B (0.50) PDE4BCREBBPBRD4PTGIREP300
SCHEMBL4708403 0.89 PDE4B (0.76) PDE4BCREBBPBRD4ADRA1DADRA1A
SCHEMBL4708743 0.89 PDE4B (0.49) PDE4BCREBBPBRD4PTGIR
SCHEMBL4706429 0.89 PDE4B (0.49) PDE4BCREBBPBRD4ADRA1DADRA1A
SCHEMBL1652344 0.87 BRD4 (0.46) PDE4BCREBBPBRD4EP300
SCHEMBL4708476 0.87 PDE4B (0.79) PDE4BADRA1DADRA1AADRA1BHTR1A
SCHEMBL4706093 0.86 PDE4B (0.65) PDE4BADRA1DADRA1AADRA1BHTR1A
SCHEMBL4706403 0.85 PDE4B (0.56) PDE4BCREBBPBRD4ADRA1DADRA1A
SCHEMBL4708038 0.83 PDE4B (0.54) PDE4BCREBBPBRD4ADRA1DADRA1A
SCHEMBL4708371 0.83 PDE4B (0.54) PDE4BCREBBPBRD4ADRA1DADRA1A

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-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 US disclosed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US disclosed
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO 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 (2 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-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PDE4B 3/4885CREBBP 1695/4885BRD4 467/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885CREBBP 1695/4885BRD4 467/4885

“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.