SCHEMBL3022253

SCHEMBL3022253

CCn1nc(-c2cccs2)c(C(C)=O)c(Nc2cccc(Cl)c2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.50
ADORA1 P30542 1/20 0.45
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM1A O60341 1/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6174003 0.89 PDE4B (0.53) PDE4BADORA1RAB9ASMN1; SMN2POLB
SCHEMBL4707865 0.85 PDE4B (0.62) PDE4BRAB9ASMN1; SMN2POLBNPC1
SCHEMBL3033443 0.85 PDE4B (0.59) PDE4BRAB9ASMN1; SMN2POLBNPC1
SCHEMBL3027254 0.85 PDE4B (0.52) PDE4BADORA1RAB9ASMN1; SMN2NPC1
SCHEMBL4058811 0.84 PDE4B (0.70) PDE4BRAB9ASMN1; SMN2POLBNPC1
SCHEMBL3029481 0.84 PDE4B (0.54) PDE4BRAB9ASMN1; SMN2POLBNPC1
SCHEMBL3036724 0.84 PDE4B (0.51) PDE4BADORA1RAB9ASMN1; SMN2NPC1
SCHEMBL4708479 0.82 PDE4B (0.58) PDE4BRAB9ASMN1; SMN2POLBNPC1
SCHEMBL3028411 0.82 PDE4B (0.56) PDE4BADORA1RAB9ASMN1; SMN2POLB
SCHEMBL4706986 0.81 PDE4B (0.57) PDE4BRAB9ASMN1; SMN2POLBNPC1

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 15 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
JP-2006515302-A 2006-05-25 JP claimed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP claimed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO 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 5/4885ADORA1 694/4885RAB9A 1793/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885ADORA1 732/4885RAB9A 1999/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885ADORA1 694/4885RAB9A 1793/4885

“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.