SCHEMBL2000616

SCHEMBL2000616

CCn1nc(C(=O)OC(C)C(=O)OC)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
KMT2A Q03164 3/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
USP2 O75604 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1997221 0.92 PDE4B (0.42) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2002045 0.91 PDE4B (0.39) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1994384 0.89 MAPT (0.40) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1994381 0.89 PDE4B (0.42) PDE4BKMT2AMAPTALDH1A1NPSR1
SCHEMBL1992771 0.88 PDE4B (0.39) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2000102 0.88 PDE4B (0.37) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1994258 0.86 PDE4B (0.35) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1995355 0.85 PDE4B (0.41) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1996261 0.85 PDE4B (0.40) PDE4BKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1994578 0.85 PDE4B (0.40) PDE4BKMT2AMAPTALDH1A1SMN1; 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 8 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
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 PDE4B 3/4885KMT2A 2498/4885MAPT 2663/4885

“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.