SCHEMBL3027414

SCHEMBL3027414

CCn1nc(-c2cccnc2)c(C(C)=O)c(N(c2ccc(F)c(Cl)c2)c2ccc(F)c(Cl)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.45
SCD O00767 1/20 0.41
PDE4B Q07343 5/20 0.37
BCHE P06276 1/20 0.36
MAPT P10636 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MET P08581 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BRD9 Q9H8M2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3035736 0.89 PDE4B (0.38) PDE4BMAPTMEN1LMNAKMT2A
SCHEMBL3033939 0.86 TBXAS1 (0.47) TBXAS1PDE4BGRIN1GRIN2BSMN1; SMN2
SCHEMBL3036743 0.83 TBXAS1 (0.50) TBXAS1PDE4BTP53SMN1; SMN2L3MBTL1
SCHEMBL3036725 0.81 TBXAS1 (0.47) TBXAS1PDE4BMEN1LMNAKMT2A
SCHEMBL3029107 0.81 PDE4B (0.56) TBXAS1SCDPDE4BMAPTMEN1
SCHEMBL3022657 0.78 PDE4A (0.48) TBXAS1L3MBTL1ALDH1A1
SCHEMBL4708980 0.78 PDE4B (0.48) PDE4BTP53SMN1; SMN2
SCHEMBL4706054 0.77 PDE4B (0.50) PDE4BTP53SMN1; SMN2
SCHEMBL3033063 0.77 PDE4A (0.43) TBXAS1L3MBTL1ALDH1A1
SCHEMBL4705820 0.76 PDE4B (0.44) PDE4BTP53SMN1; 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
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
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 454/4885SCD 4299/4885PDE4B 5/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B TBXAS1 384/4885SCD 4326/4885PDE4B 4/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B TBXAS1 454/4885SCD 4299/4885PDE4B 5/4885

“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.