SCHEMBL2004904

SCHEMBL2004904

CCn1nc(C(=O)OCOC(=O)[C@@H](N)CC(C)C)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 2/20 0.32
PDE4B Q07343 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL2004906 1.00 CDC25B (0.33) CDC25BALDH1A1CDC25ACDC25CRECQL
SCHEMBL1997921 0.87 CDC25B (0.44) CDC25BALDH1A1CDC25ACDC25CRECQL
SCHEMBL1997036 0.85 AAK1 (0.35) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL1997033 0.85 AAK1 (0.35) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL1994571 0.83 ADORA3 (0.40) ALDH1A1RECQLL3MBTL1ADORA3KDM4E
SCHEMBL1996168 0.82 ALDH1A1 (0.35) CDC25BALDH1A1CDC25ACDC25CRECQL
SCHEMBL2001626 0.82 TRPV1 (0.39) ALDH1A1RECQLL3MBTL1MAPTPDE4B
SCHEMBL2824227 0.81 PDE4B (0.34) ALDH1A1L3MBTL1KDM4EMAPTPDE4B
SCHEMBL1995464 0.80 KMT2A (0.46) ALDH1A1L3MBTL1KDM4EMAPTRAB9A
SCHEMBL2001500 0.80 ALDH1A1 (0.39) CDC25BALDH1A1CDC25ACDC25CRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US claimed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US claimed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP claimed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed
US-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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 (1 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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B CDC25B 1275/4885ALDH1A1 457/4885CDC25A 1164/4885

“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.