SCHEMBL3036028

SCHEMBL3036028

CC(=O)c1c(-c2ccccn2)nn(CC2CC2)c(=O)c1Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
EP300 Q09472 1/20 0.41
PTGIR P43119 1/20 0.36
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 2/20 0.35
GPR39 O43194 1/20 0.35
DRD4 P21917 2/20 0.35
PDE10A Q9Y233 2/20 0.34
NR3C1 P04150 1/20 0.34
SLC34A1 Q06495 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL6173923 0.94 BRD4 (0.42) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL1652424 0.93 PDE4A (0.47) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL1652124 0.87 BRD4 (0.38) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL1652642 0.86 PDE4B (0.43) PDE4BPDE10A
SCHEMBL1652344 0.86 BRD4 (0.46) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL1652321 0.84 BRD4 (0.43) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL3039917 0.83 PDE4B (0.45) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL1652702 0.81 PDE4B (0.52) PDE4B
SCHEMBL4708038 0.80 PDE4B (0.54) PDE4APDE4BBRD4CREBBPEP300
SCHEMBL3040798 0.79 PARP1 (0.43) PDE4B

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 PDE4A 1/4885PDE4B 5/4885BRD4 281/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4A 2/4885PDE4B 4/4885BRD4 387/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885BRD4 281/4885

“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.