SCHEMBL3029569

SCHEMBL3029569

CC(=O)c1c(-c2cccc(F)c2)nn(CC2CC2)c(=O)c1Nc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.44
CREBBP Q92793 5/20 0.44
CSNK1E P49674 2/20 0.44
PDE4B Q07343 1/20 0.44
EP300 Q09472 2/20 0.43
MERTK Q12866 1/20 0.41
PDE4A P27815 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC34A1 Q06495 1/20 0.38
PTGIR P43119 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRNP P04156 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
SCHEMBL1652372 0.94 BRD4 (0.40) BRD4CREBBPCSNK1EPDE4BEP300
SCHEMBL1653014 0.91 PDE4B (0.46) BRD4CREBBPPDE4BEP300MERTK
SCHEMBL3033400 0.90 PDE4A (0.52) BRD4CREBBPPDE4BEP300PDE4A
SCHEMBL3033404 0.89 PDE4B (0.56) CSNK1EPDE4BTAAR1ALDH1A1L3MBTL1
SCHEMBL4708371 0.87 PDE4B (0.54) BRD4CREBBPPDE4BEP300SLC34A1
SCHEMBL4708697 0.86 BRD4 (0.46) BRD4CREBBPCSNK1EPDE4BEP300
SCHEMBL4708743 0.85 PDE4B (0.49) BRD4CREBBPPDE4BMERTKPDE4A
SCHEMBL3032335 0.85 PDE4A (0.48) BRD4CREBBPPDE4BEP300MERTK
SCHEMBL3039917 0.83 PDE4B (0.45) BRD4CREBBPPDE4BEP300MERTK
SCHEMBL3037450 0.83 BRD4 (0.45) BRD4CREBBPPDE4BEP300MERTK

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 BRD4 281/4885CREBBP 1645/4885CSNK1E 1329/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B BRD4 387/4885CREBBP 1705/4885CSNK1E 1485/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B BRD4 281/4885CREBBP 1645/4885CSNK1E 1329/4885

“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.