SCHEMBL3032602

SCHEMBL3032602

CC(=O)c1c(-c2ccncc2)nn(CC2CC2)c(=O)c1Nc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
BRD4 O60885 1/20 0.43
EP300 Q09472 1/20 0.43
CREBBP Q92793 1/20 0.43
SLC34A1 Q06495 6/20 0.42
BUB1 O43683 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MCHR1 Q99705 1/20 0.39
TSHR P16473 1/20 0.39
GRM4 Q14833 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BLM P54132 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
SCHEMBL4706654 0.93 PDE4B (0.52) PDE4BBRD4EP300CREBBPSLC34A1
SCHEMBL3037450 0.91 BRD4 (0.45) PDE4BBRD4EP300CREBBPSLC34A1
SCHEMBL4707608 0.91 SLC34A1 (0.45) PDE4BBRD4CREBBPSLC34A1ACHE
SCHEMBL1652093 0.89 PDE4B (0.56) PDE4BBUB1ACHEBACE1ABCG2
SCHEMBL4708006 0.88 PDE4A (0.47) PDE4BBRD4EP300CREBBPSLC34A1
SCHEMBL1654875 0.87 PDE4B (0.46) PDE4BBUB1ACHEBACE1ABCG2
SCHEMBL3032464 0.87 PDE4A (0.46) PDE4BBRD4EP300CREBBPSLC34A1
SCHEMBL1652321 0.87 BRD4 (0.43) PDE4BBRD4EP300CREBBPSLC34A1
SCHEMBL4708376 0.81 PDE4B (0.66) PDE4BACHEBACE1MCHR1TSHR
SCHEMBL5879051 0.81 PDE4B (0.41) PDE4BBRD4EP300CREBBPSLC34A1

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 15 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
JP-2006515302-A 2006-05-25 JP claimed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP claimed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO 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 5/4885BRD4 281/4885EP300 1568/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885BRD4 387/4885EP300 1685/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885BRD4 281/4885EP300 1568/4885

“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.