SCHEMBL4050839

SCHEMBL4050839

CCn1nc(-c2ccsc2)c(C(=O)OCCNC(=O)OC(C)(C)C)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.34
BUB1 O43683 2/20 0.34
LATS1 O95835 2/20 0.32
IDO1 P14902 1/20 0.32
ELANE P08246 1/20 0.32
CKS1B P61024 2/20 0.31
SKP1 P63208 2/20 0.31
SKP2 Q13309 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5263560 0.95 BUB1 (0.33) PDE4BBUB1PDE4APDE4CPDE4D
SCHEMBL4052622 0.88 ADORA1 (0.37) PDE4BBUB1IDO1ELANENPC1
SCHEMBL4054524 0.88 PDE4B (0.39) PDE4BBUB1ELANEPDE4APDE4C
SCHEMBL4053853 0.88 PDE4B (0.41) PDE4BELANEPDE4APDE4CPDE4D
SCHEMBL4051044 0.86 LATS1 (0.35) PDE4BBUB1LATS1IDO1PDE4A
SCHEMBL4053624 0.86 PDE4B (0.36) PDE4BBUB1ELANEPDE4APDE4C
SCHEMBL4050813 0.85 PDE4B (0.39) PDE4BELANEPDE4APDE4CPDE4D
SCHEMBL4051398 0.84 PDE4B (0.37) PDE4BBUB1LATS1IDO1ALDH1A1
SCHEMBL4053830 0.84 RECQL (0.37) PDE4BELANEPDE4APDE4CPDE4D
SCHEMBL5263315 0.84 LATS1 (0.33) PDE4BLATS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029996-A1 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, S.A. (ES) 2009-01-29 US claimed
US-20090029996-A1 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, S.A. (ES) 2009-01-29 US disclosed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP disclosed
WO-2005123693-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-20090029996-A1 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 PDE12, PDE4A, PDE4B PDE4B 3/4885BUB1 4708/4885LATS1 4603/4885

“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.