SCHEMBL3033102

SCHEMBL3033102

CC(=O)c1c(-c2cccs2)nn(CC2CC2)c(=O)c1Nc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MERTK Q12866 1/20 0.40
PDE4B Q07343 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
KLF5 Q13887 1/20 0.39
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3036724 0.88 PDE4B (0.51) MEN1KMT2AMAPTUSP2TP53
SCHEMBL1653014 0.83 PDE4B (0.46) MAPTMERTKPDE4BBRD4EP300
SCHEMBL3033400 0.81 PDE4A (0.52) MAPTTP53PDE4BBRD4EP300
SCHEMBL3029569 0.81 BRD4 (0.44) MEN1KMT2AMERTKPDE4BBRD4
SCHEMBL4053240 0.81 PDE4B (0.46) MEN1KMT2AMAPTUSP2TP53
SCHEMBL3038675 0.81 P2RX7 (0.44) MEN1KMT2AMAPTTP53TDP1
SCHEMBL3040826 0.78 MERTK (0.44) MAPTMERTKSMN1; SMN2HTTGSK3A
SCHEMBL4056733 0.78 ALDH1A1 (0.43) MEN1KMT2AMAPTUSP2TP53
SCHEMBL6174003 0.78 PDE4B (0.53) MEN1KMT2AMAPTUSP2TP53
SCHEMBL3032335 0.78 PDE4A (0.48) MEN1KMT2AMERTKPDE4BBRD4

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 MEN1 3252/4885KMT2A 2329/4885MAPT 4154/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B MEN1 3523/4885KMT2A 2720/4885MAPT 4236/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MEN1 3252/4885KMT2A 2329/4885MAPT 4154/4885

“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.