SCHEMBL2376775

SCHEMBL2376775

COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC1(CCCC1)C2

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.57
PDE4A P27815 11/20 0.57
PDE4C Q08493 11/20 0.57
PDE4D Q08499 11/20 0.57
DNMT3A Q9Y6K1 1/20 0.36

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
Hydrochloric Acid SCHEMBL183917 0.99 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL2325539 0.89 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DDNMT3A
Hydrochloric Acid SCHEMBL184579 0.88 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DDNMT3A
SCHEMBL184478 0.83 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL184779 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL2359632 0.80 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL2328565 0.79 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL2378179 0.77 PDE4B (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL2377544 0.76 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL184170 0.75 PDE4B (0.60) 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 5 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-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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 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 (2 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-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4B 4/4885PDE4A 1/4885PDE4C 9/4885
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.