SCHEMBL3035561

SCHEMBL3035561

CC(=O)c1c(-c2ccncc2)nn(CCO)c(=O)c1Nc1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
ADRA1D P25100 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
HTR1A P08908 3/20 0.35
BUB1 O43683 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CSF1R P07333 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK8 P49336 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
PRKCQ Q04759 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
SCHEMBL3028282 0.91 PDE4B (0.65) PDE4BFPR1FPR2ADRA1DADRA1A
SCHEMBL4706093 0.91 PDE4B (0.65) PDE4BADRA1DADRA1AADRA1BHTR1A
SCHEMBL3026974 0.86 PDE4B (0.50) PDE4BFPR1FPR2BRD4CREBBP
SCHEMBL4707025 0.84 PDE4B (0.52) PDE4BFPR1FPR2ADRA1DADRA1A
SCHEMBL1652695 0.83 PDE4B (0.48) PDE4BFPR1FPR2ADRA1DADRA1A
SCHEMBL3027368 0.82 PDE4B (0.48) PDE4BADRA1DADRA1AADRA1BHTR1A
SCHEMBL4708476 0.81 PDE4B (0.79) PDE4BADRA1DADRA1AADRA1BHTR1A
SCHEMBL1654875 0.80 PDE4B (0.46) PDE4BBUB1GSK3BL3MBTL1ALDH1A1
SCHEMBL3021552 0.80 PDE4B (0.47) PDE4BADRA1DADRA1AADRA1BHTR1A
SCHEMBL3022756 0.80 PDE4B (0.47) PDE4BADRA1DADRA1AADRA1BHTR1A

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 5/4885FPR1 3943/4885FPR2 3954/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885FPR1 3982/4885FPR2 3936/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885FPR1 3943/4885FPR2 3954/4885

“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.