SCHEMBL1997694

SCHEMBL1997694

CCn1nc(C(=O)OCc2ccsc2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
POLB P06746 1/20 0.34
PDE4B Q07343 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
RECQL P46063 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
SHMT2 P34897 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 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
SCHEMBL5607985 0.94 TRPV1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1TRPV1
SCHEMBL2001626 0.90 TRPV1 (0.39) ALDH1A1SMN1; SMN2TRPV1PDE4BADORA2A
SCHEMBL1995971 0.86 TRPV1 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1TRPV1
SCHEMBL1996708 0.86 TRPV1 (0.46) ALDH1A1SMN1; SMN2TRPV1POLBPDE4B
SCHEMBL1997921 0.86 CDC25B (0.44) ALDH1A1SMN1; SMN2PDE4BRECQLADORA3
SCHEMBL2001436 0.86 TRPV1 (0.42) ALDH1A1SMN1; SMN2TRPV1PDE4BADORA2A
SCHEMBL1994821 0.85 CYP2D6 (0.42) ALDH1A1SMN1; SMN2TRPV1POLBPDE4B
SCHEMBL1997048 0.84 POLB (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1TRPV1
SCHEMBL1998635 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ANPC1TRPV1
SCHEMBL1994456 0.84 KDM4C (0.36) SMN1; SMN2POLBPDE4BMEN1KMT2A

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 ALDH1A1 457/4885SMN1; SMN2 4021/4885RAB9A 1442/4885

“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.