SCHEMBL3022173

SCHEMBL3022173

CCn1nc(-c2ccc(F)cc2)c(C(C)=O)c(Nc2cccc3cccnc23)c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.51
GLO1 Q04760 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDR P35968 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TNKS O95271 2/20 0.36
AHR P35869 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL3028554 0.92 PDE4B (0.61) PDE4BHDAC6HDAC3HDAC1HDAC2
SCHEMBL3038344 0.89 SLC34A1 (0.43) PDE4BHCRTR1TNKSTNKS2
SCHEMBL3037371 0.89 PDE4B (0.54) PDE4BKMT2AMEN1ALDH1A1LMNA
SCHEMBL3036245 0.88 PDE4B (0.53) PDE4BKMT2AMEN1ALDH1A1KDR
SCHEMBL3032717 0.87 PDE4B (0.52) PDE4BALDH1A1TDP1
SCHEMBL3029781 0.86 PDE4B (0.50) PDE4BKMT2AMEN1ALDH1A1LMNA
SCHEMBL3029763 0.86 PDE4B (0.49) PDE4BHDAC6HDAC3HDAC1HDAC2
SCHEMBL3036003 0.85 PDE4B (0.51) PDE4BALDH1A1
SCHEMBL6173388 0.85 PDE4B (0.43) PDE4BHCRTR1
SCHEMBL4707488 0.84 PDE4B (0.59) PDE4BKMT2AMEN1ALDH1A1TDP1

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 5/4885GLO1 2453/4885HDAC6 282/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885GLO1 2064/4885HDAC6 447/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885GLO1 2453/4885HDAC6 282/4885

“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.