SCHEMBL3029324

SCHEMBL3029324

CCn1nc(-c2ccccc2)c(C(=O)CCc2ccccc2)c(Nc2cccc3ncccc23)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.46
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
TBXAS1 P24557 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3032850 0.91 PDE4B (0.42) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL4054580 0.89 PDE4B (0.53) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL1654740 0.88 PDE4B (0.60) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL4049469 0.86 PDE4B (0.48) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL4048502 0.86 PDE4B (0.45) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL4055308 0.83 PDE4B (0.47) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL4051437 0.82 PDE4B (0.42) PDE4BLMNAHTTTP53SMN1; SMN2
SCHEMBL1654521 0.82 PDE4B (0.62) PDE4BTBXAS1TP53SMN1; SMN2MEN1
SCHEMBL4052589 0.82 PDE4B (0.43) PDE4BLMNAHTTTBXAS1TP53
SCHEMBL3028413 0.82 TBXAS1 (0.51) PDE4BLMNAHTTTBXAS1SMN1; SMN2

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 10 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

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 5/4885LMNA 2587/4885HTT 4717/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885LMNA 2871/4885HTT 4720/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885LMNA 2587/4885HTT 4717/4885

“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.