SCHEMBL3022873

SCHEMBL3022873

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc(F)nc2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.43
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
HTR1A P08908 3/20 0.42
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CSF1R P07333 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCQ Q04759 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL4707416 0.90 PDE4B (0.80) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL3038914 0.89 PDE4B (0.73) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL3028581 0.89 PDE4B (0.73) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL1651247 0.88 PDE4B (0.74) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL3028312 0.86 PDE4B (0.69) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL1652709 0.86 PDE4B (0.69) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4706133 0.86 PDE4B (0.85) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4708657 0.85 PDE4B (0.73) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4707463 0.85 PDE4B (0.72) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4705746 0.85 PDE4B (0.72) PDE4BSMN1; SMN2ADRA1DADRA1AADRA1B

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 5/4885SMN1; SMN2 3744/4885ADRA1D 58/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885SMN1; SMN2 3892/4885ADRA1D 73/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885SMN1; SMN2 3744/4885ADRA1D 58/4885

“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.