SCHEMBL1996996

SCHEMBL1996996

CCn1nc(C(=O)OCc2cccc(C#N)c2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.38
BTK Q06187 3/20 0.36
ROCK2 O75116 3/20 0.36
POLB P06746 1/20 0.36
ADORA1 P30542 2/20 0.36
PDE4B Q07343 2/20 0.36
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BUB1 O43683 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 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
SCHEMBL5607993 0.90 TRPV1 (0.41) SGMS2ROCK2ALDH1A1TRPV1BUB1
SCHEMBL2001626 0.89 TRPV1 (0.39) ADORA1PDE4BALDH1A1TRPV1SMN1; SMN2
SCHEMBL2001436 0.89 TRPV1 (0.42) ADORA1PDE4BALDH1A1TRPV1SMN1; SMN2
SCHEMBL1994821 0.88 CYP2D6 (0.42) POLBADORA1PDE4BALDH1A1TRPV1
SCHEMBL1997048 0.87 POLB (0.43) POLBADORA1ALDH1A1TRPV1SMN1; SMN2
SCHEMBL1995154 0.86 TRPV1 (0.45) TRPV1
SCHEMBL2000314 0.85 SGMS2 (0.41) SGMS2BTKROCK2POLBADORA1
SCHEMBL1995971 0.84 TRPV1 (0.43) ALDH1A1TRPV1SMN1; SMN2
SCHEMBL1996708 0.84 TRPV1 (0.46) POLBADORA1PDE4BALDH1A1TRPV1
SCHEMBL1997921 0.84 CDC25B (0.44) PDE4BALDH1A1SMN1; SMN2

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 SGMS2 4260/4885BTK 2386/4885ROCK2 95/4885

“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.