SCHEMBL1653014

SCHEMBL1653014

CC(=O)c1c(-c2ccc(F)cc2)nn(CC2CC2)c(=O)c1Nc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
SLC34A1 Q06495 6/20 0.44
POLB P06746 1/20 0.41
BRD4 O60885 3/20 0.40
CREBBP Q92793 3/20 0.40
ALDH1A1 P00352 2/20 0.40
EP300 Q09472 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MERTK Q12866 1/20 0.39
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL3029569 0.91 BRD4 (0.44) PDE4BSLC34A1BRD4CREBBPALDH1A1
SCHEMBL1651191 0.88 PDE4B (0.59) PDE4BPOLBALDH1A1L3MBTL1MAPT
SCHEMBL3033400 0.85 PDE4A (0.52) PDE4BPOLBBRD4CREBBPALDH1A1
SCHEMBL1651238 0.85 SLC34A1 (0.45) PDE4BSLC34A1MERTK
SCHEMBL1652372 0.85 BRD4 (0.40) PDE4BSLC34A1BRD4CREBBPALDH1A1
SCHEMBL3029538 0.84 SLC34A1 (0.46) PDE4BSLC34A1BRD4CREBBPMERTK
SCHEMBL4708332 0.83 PDE4B (0.46) PDE4BSLC34A1BRD4CREBBPEP300
SCHEMBL3029152 0.83 SLC34A1 (0.49) PDE4BSLC34A1MERTK
SCHEMBL3033102 0.83 MEN1 (0.42) PDE4BBRD4CREBBPALDH1A1EP300
SCHEMBL4678987 0.83 SLC34A1 (0.44) PDE4BSLC34A1BRD4CREBBPALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4679154-B2 2011-04-27 JP claimed
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 5/4885SLC34A1 2127/4885POLB 880/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B PDE4B 4/4885SLC34A1 1929/4885POLB 776/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B PDE4B 5/4885SLC34A1 2127/4885POLB 880/4885

“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.