SCHEMBL183952

SCHEMBL183952

COc1ccc(C2=NN(C3CCN(C(=O)CCl)CC3)C(=O)C23CCCC3)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.78
PDE4D Q08499 2/20 0.49

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 0.88 PDE4B (0.83) PDE4BPDE4D
SCHEMBL185061 0.88 PDE4B (1.00) PDE4BPDE4D
SCHEMBL184974 0.86 PDE4B (0.83) PDE4BPDE4D
SCHEMBL184531 0.86 PDE4B (1.00) PDE4BPDE4D
SCHEMBL185278 0.85 PDE4B (1.00) PDE4BPDE4D
SCHEMBL2327586 0.81 PDE4B (0.67) PDE4BPDE4D
SCHEMBL2323731 0.81 PDE4B (0.63) PDE4BPDE4D
Hydrochloric Acid SCHEMBL184363 0.80 PDE4B (0.62) PDE4BPDE4D
SCHEMBL185012 0.79 PDE4B (0.68) PDE4BPDE4D
Hydrochloric Acid SCHEMBL184356 0.78 PDE4B (0.76) 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 11 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
EP-2148876-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS Nycomed GmbH (DE) 2010-02-03 EP disclosed
WO-2008138939-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-11-20 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 (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 2/4885PDE4D 8/4885
US-20130012544-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4D 4/4885
US-20140378509-A1 PYRAZOLONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4D 3/4885

“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.