SCHEMBL185088

SCHEMBL185088

COc1ccc(C2=NNC(=O)C2(C)C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.52
PDE3A Q14432 11/20 0.50
PDE4A P27815 9/20 0.50
PDE4C Q08493 9/20 0.50
PDE4D Q08499 9/20 0.50
PDE3B Q13370 4/20 0.50
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL2843398 0.88 PDE4B (0.45) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2848137 0.87 PDE3A (0.46) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL2847004 0.87 PDE3A (0.49) PDE4BPDE3APDE3B
SCHEMBL2844867 0.87 CHEK1 (0.45) PDE4BPDE3APDE3B
SCHEMBL184502 0.84 PDE4B (0.61) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL183965 0.83 PDE3A (0.50) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL184199 0.81 PDE3A (0.43) PDE4BPDE3APDE3BKDM4EMAPT
SCHEMBL184769 0.81 PDE4B (0.47) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL184573 0.81 PDE4B (0.46) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL184245 0.80 PDE4B (0.50) PDE4BPDE3APDE4APDE4CPDE4D

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126651-A2 2,4-Dihydro-5-((substituted)phenyl)-4,4-disubstituted-3H-pyrazol-3-ones, 2,4-dihydro-5-((substituted)phenyl)-4, 4-disubstituted-3H-pyrazol-3-thiones, and a process for producing the same WARNER-LAMBERT COMPANY (US) 1984-11-28 EP claimed
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
EP-2402330-B1 Pyrazolone-derivatives as PDE4 inhibitors TAKEDA GMBH (DE) 2013-06-26 EP disclosed
US-20130012544-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2013-01-10 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
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP disclosed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO disclosed
US-20100120757-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2010-05-13 US disclosed
US-4661496-A Cardiotonic and antihypertensive 2,4-dihydro-5-[(substituted)phenyl]-4,4-disubstituted-3H-pyrazol-3-ones WARNER-LAMBERT COMPANY (US) 1987-04-28 US disclosed
US-4550119-A 2,4-Dihydro-5-[(substituted)phenyl]-4,4-disubstituted-3H-pyrazol-3-ones WARNER-LAMBERT COMPANY (US) 1985-10-29 US disclosed
EP-0126651-A2 2,4-Dihydro-5-((substituted)phenyl)-4,4-disubstituted-3H-pyrazol-3-ones, 2,4-dihydro-5-((substituted)phenyl)-4, 4-disubstituted-3H-pyrazol-3-thiones, and a process for producing the same WARNER-LAMBERT COMPANY (US) 1984-11-28 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 (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 2/4885PDE3A 3/4885PDE4A 1/4885
US-20130012544-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE3A 6/4885PDE4A 1/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE3A 3/4885PDE4A 1/4885
US-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE3A 9/4885PDE4A 1/4885
US-20140073672-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE3A 3/4885PDE4A 1/4885

“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.