SCHEMBL127633

SCHEMBL127633

CCOC(=O)c1c(Cc2cccc(C(=O)OC(C)(C)C)c2)c(-c2ccc(OC(F)F)c(OC3CC3)c2)n(COCc2ccccc2)c1C=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.35
PDE4B Q07343 6/20 0.34
PDE4A P27815 5/20 0.34
PDE4C Q08493 5/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
PTGES O14684 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL127886 0.93 PDE4D (0.36) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL127526 0.87 ACSL1 (0.35) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL129377 0.84 MAPT (0.36) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL129304 0.84 MAPT (0.36) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL129263 0.84 MAPT (0.34) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL129675 0.79 SMN1; SMN2 (0.38) MAPTPTGESALDH1A1MEN1LMNA
SCHEMBL128523 0.71 SLC7A5 (0.41) MAPTPTGESALDH1A1MEN1LMNA
SCHEMBL129029 0.68 PDE4A (0.35) PDE4DPDE4BPDE4APDE4CSLC16A3
SCHEMBL129131 0.66 PDE4A (0.33) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL128765 0.66 CYP2C9 (0.35) PDE4DPDE4BPDE4APDE4CSLC16A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 PDE4D 3827/4885PDE4B 3261/4885PDE4A 3035/4885

“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.