SCHEMBL3022756

SCHEMBL3022756

CC(=O)c1c(-c2ccncc2)nn(CCO)c(=O)c1Nc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TDO2 P48775 1/20 0.40
TP53 P04637 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
BUB1 O43683 1/20 0.38
FTO Q9C0B1 1/20 0.38
LMNA P02545 2/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 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
SCHEMBL4706937 0.93 PDE4B (0.54) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL1654007 0.90 PDE4B (0.58) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL3038538 0.90 PDE4B (0.45) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL3021552 0.88 PDE4B (0.47) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL3037361 0.86 PDE4B (0.45) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4707303 0.85 PDE4B (0.44) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL3027368 0.83 PDE4B (0.48) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4707277 0.83 PDE4B (0.67) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL6175107 0.82 PDE4B (0.42) PDE4BHTR1AADRA1DADRA1AADRA1B
SCHEMBL4706655 0.81 PDE4B (0.54) PDE4BHTR1AADRA1DADRA1AADRA1B

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 5/4885HTR1A 822/4885ADRA1D 58/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885HTR1A 853/4885ADRA1D 73/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885HTR1A 822/4885ADRA1D 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.