SCHEMBL2001982

SCHEMBL2001982

CCn1nc(C(=O)OCCN(C)C)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.40
ADORA1 P30542 3/20 0.38
PDE4B Q07343 3/20 0.38
ADORA2B P29275 2/20 0.37
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ROCK1 Q13464 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KAT2B Q92831 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL2000585 0.90 SMN1; SMN2 (0.42) ALDH1A1ROCK1KDM4EMAPT
SCHEMBL1997921 0.89 CDC25B (0.44) PDE4BALDH1A1RECQLKDM4EMAPT
SCHEMBL5607208 0.89 POLR1A (0.35) POLR1AADORA1PDE4BALDH1A1KDM4E
SCHEMBL2001500 0.88 ALDH1A1 (0.39) ALDH1A1RECQLKDM4EMAPTCDC25A
SCHEMBL1999854 0.87 NPC1 (0.39) PDE4BALDH1A1RECQLMAPTAURKA
SCHEMBL2001626 0.85 TRPV1 (0.39) ADORA1PDE4BADORA2BADORA2AALDH1A1
SCHEMBL1995464 0.84 KMT2A (0.46) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2000588 0.84 TRPV1 (0.38) ADORA1PDE4BADORA2BADORA2AALDH1A1
SCHEMBL1994571 0.83 ADORA3 (0.40) ADORA1PDE4BADORA2BADORA2AALDH1A1
SCHEMBL1999230 0.83 AURKA (0.42) ADORA1PDE4BADORA2BADORA2AALDH1A1

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-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
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 POLR1A 1040/4885ADORA1 442/4885PDE4B 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.