SCHEMBL131830

SCHEMBL131830

COc1ccc(C(=O)CBr)cc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.64
PDE4D Q08499 11/20 0.62
PDE4A P27815 9/20 0.62
PDE4C Q08493 9/20 0.62
MAPK14 Q16539 1/20 0.60

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
SCHEMBL6585967 0.88 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5565347 0.86 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7329999 0.85 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL4709683 0.85 PDE4B (0.65) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL16806651 0.85 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL27472680 0.84 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7340272 0.84 PDE4D (0.78) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL5349155 0.84 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7441489 0.83 PDE4B (0.63) PDE4BPDE4DPDE4APDE4C
SCHEMBL6587335 0.83 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14

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 12 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
EP-0832071-B1 1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDE IV AND CYTOKININ INHIBITING ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2005-09-28 EP disclosed
EP-0832071-A1 1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDE IV AND CYTOKININ INHIBITING ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-01 EP disclosed
WO-1998008844-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1996031487-A1 1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES HAVING PDE IV AND CYTOKININ INHIBITING ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-10 WO disclosed
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 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 (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 PDE4B 3261/4885PDE4D 3827/4885PDE4A 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.