SCHEMBL3033372

SCHEMBL3033372

CCn1nc(-c2cccnc2)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.54
PDE4B Q07343 5/20 0.53
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
BUB1 O43683 1/20 0.35

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
SCHEMBL3022117 0.93 PDE4B (0.62) TBXAS1PDE4BMEN1KMT2AADORA1
SCHEMBL3036227 0.92 TBXAS1 (0.55) TBXAS1PDE4BALDH1A1L3MBTL1MEN1
SCHEMBL3033040 0.91 PDE4B (0.55) TBXAS1PDE4BALDH1A1L3MBTL1ADRA2A
SCHEMBL3028542 0.88 PDE4B (0.54) PDE4BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3029482 0.88 PDE4B (0.52) TBXAS1PDE4BADORA2AADORA2BADORA1
SCHEMBL1654216 0.87 PDE4B (0.60) TBXAS1PDE4BALDH1A1L3MBTL1ADORA1
SCHEMBL4676348 0.86 PDE4B (0.67) TBXAS1PDE4BSMN1; SMN2TP53
SCHEMBL4050522 0.86 PDE4B (0.55) TBXAS1PDE4BMEN1KMT2AADORA1
SCHEMBL3039960 0.86 PDE4B (0.52) TBXAS1PDE4BALDH1A1MEN1KMT2A
SCHEMBL3029596 0.85 PDE4B (0.49) TBXAS1PDE4BALDH1A1L3MBTL1ADORA2A

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 TBXAS1 454/4885PDE4B 5/4885ALDH1A1 444/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B TBXAS1 384/4885PDE4B 4/4885ALDH1A1 451/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B TBXAS1 454/4885PDE4B 5/4885ALDH1A1 444/4885

“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.