SCHEMBL129121

SCHEMBL129121

O=c1[nH]ncc2[nH]c(-c3ccc(OC(F)F)c(OC4CCC4)c3)c(Br)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.37
PDE4A P27815 14/20 0.37
PDE4B Q07343 13/20 0.37
PDE4C Q08493 11/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
KCNH2 Q12809 2/20 0.34

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
SCHEMBL128421 0.96 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL130244 0.88 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL127958 0.86 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL127418 0.85 PDE4A (0.42) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL126617 0.85 HPGD (0.39) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL128372 0.84 PDE4A (0.37) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL128087 0.84 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL127463 0.84 PDE4B (0.38) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL127906 0.83 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL127413 0.82 TLR8 (0.38) PDE4DPDE4APDE4BPDE4CLMNA

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

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

“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.