SCHEMBL184355

SCHEMBL184355

CCOc1ccc(C2=NN(C3CCN(C(=O)CCl)CC3)C(=O)C2(C)C)cc1OCC

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.78
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44

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
SCHEMBL184683 0.89 PDE4B (0.83) PDE4BPDE4D
SCHEMBL184323 0.88 PDE4B (1.00) PDE4BPDE4D
SCHEMBL185012 0.85 PDE4B (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL184690 0.84 PDE4B (0.81) PDE4BPDE4D
SCHEMBL196373 0.84 PDE4B (1.00) PDE4BPDE4D
SCHEMBL2328013 0.82 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL184531 0.81 PDE4B (1.00) PDE4BPDE4D
SCHEMBL2328039 0.81 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DDNMT3A
Hydrochloric Acid SCHEMBL184411 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL185278 0.80 PDE4B (1.00) PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (3 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-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 5/4885

“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.