SCHEMBL184170

SCHEMBL184170

COc1ccc(C2=NNC(=O)C2(C)C)c2c1OC1(CCCC1)C2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.60
PDE4A P27815 9/20 0.60
PDE4C Q08493 9/20 0.60
PDE4D Q08499 9/20 0.60
PDE3A Q14432 11/20 0.47

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
SCHEMBL184576 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL2376775 0.75 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL183917 0.74 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL8378241 0.72 PDE4D (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL129925 0.70 PDE4D (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2847233 0.70 PDE3A (0.57) PDE4BPDE3A
SCHEMBL5722988 0.70 PDE4A (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL6837783 0.69 PDE4D (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL5722968 0.69 PDE4A (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL5722874 0.69 PDE4D (0.48) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340522-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2016-05-17 US disclosed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP disclosed
US-9090597-B2 Pyrazolone derivatives as PDE4 inhibitors TAKEDA GMBH (DE) 2015-07-28 US disclosed
US-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2014-12-25 US disclosed
US-8865745-B2 Pyrazolone derivatives as PDE4 inhibitors TAKEDA GMBH (DE) 2014-10-21 US disclosed
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS TAKEDA GMBH (DE) 2014-03-13 US disclosed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US disclosed
US-20130012544-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2013-01-10 US disclosed
US-8304436-B2 Pyrazolone derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2012-11-06 US disclosed
EP-2508520-A1 Pyrazolone-derivatives as PDE4 inhibitors Nycomed GmbH (DE) 2012-10-10 EP disclosed
EP-2402330-A1 Pyrazolone-derivatives as PDE4 inhibitors Nycomed GmbH (DE) 2012-01-04 EP disclosed
EP-2148876-B1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-09-28 EP disclosed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US disclosed
US-20100120757-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2010-05-13 US 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 (5 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-20100120757-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885
US-20130012544-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4A 1/4885PDE4C 8/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE4A 1/4885PDE4C 9/4885
US-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 5/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE4A 1/4885PDE4C 9/4885

“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.