SCHEMBL1994634

SCHEMBL1994634

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE4B Q07343 2/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 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
SCHEMBL1995088 0.87 PDE4B (0.33) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1999701 0.86 ALDH1A1 (0.33) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1997382 0.85 PDE4B (0.38) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL1996657 0.84 ALDH1A1 (0.46) ALDH1A1NPSR1PDE4BPDE4APDE4C
SCHEMBL1994341 0.84 MAPT (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1999893 0.81 ALDH1A1 (0.31) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1993161 0.81 PDE4A (0.35) ALDH1A1MAPTKMT2APDE4BMEN1
SCHEMBL1998326 0.80 CSF1R (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1997065 0.80 TP53 (0.37) ALDH1A1MAPTKMT2APOLBNPSR1
SCHEMBL1994031 0.78 MAPT (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2POLB

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-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 ALDH1A1 457/4885MAPT 2663/4885KMT2A 2498/4885

“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.