SCHEMBL3033339

SCHEMBL3033339

CCn1nc(-c2cccc(C(=O)O)c2)c(C(C)=O)c(Nc2cccnc2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.66
KMO O15229 1/20 0.43
TBXAS1 P24557 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PRKCA P17252 1/20 0.41
SYK P43405 1/20 0.40
HTT P42858 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL3039486 0.91 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1ABL1
SCHEMBL3028376 0.90 PDE4B (0.75) PDE4BTBXAS1ALDH1A1L3MBTL1SIRT2
SCHEMBL3036709 0.90 PDE4B (0.71) PDE4BTBXAS1ALDH1A1L3MBTL1
SCHEMBL3029540 0.89 PDE4B (0.57) PDE4BTBXAS1ALDH1A1L3MBTL1ABL1
SCHEMBL1652085 0.89 PDE4B (0.63) PDE4BTBXAS1ALDH1A1L3MBTL1
SCHEMBL3036290 0.88 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1
SCHEMBL3033404 0.88 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1
SCHEMBL4706435 0.87 PDE4B (0.79) PDE4BL3MBTL1
SCHEMBL1651507 0.86 PDE4B (0.55) PDE4BTBXAS1ALDH1A1HTT
SCHEMBL4674510 0.86 PDE4B (0.69) PDE4BL3MBTL1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US claimed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US claimed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US claimed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US claimed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 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 (3 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885KMO 1705/4885TBXAS1 454/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885KMO 1622/4885TBXAS1 384/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885KMO 1705/4885TBXAS1 454/4885

“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.