SCHEMBL1376313

SCHEMBL1376313

COc1ccc(-c2n[nH]c(=O)c3noc(C)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
DYRK1A Q13627 1/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NOTUM Q6P988 1/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
PIK3CA P42336 1/20 0.42
ALPL P05186 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3029374 0.85 GAA (0.48) GSK3AGSK3BDYRK1AMEN1KMT2A
SCHEMBL3033408 0.84 PTGS2 (0.42) PTGS2NOTUMKDM4EALDH1A1ALPL
SCHEMBL1377025 0.84 MAPK1 (0.46) MEN1KMT2AALDH1A1MAPT
SCHEMBL994138 0.83 MAPT (0.49) GSK3AGSK3BPTGS2MEN1KMT2A
SCHEMBL3022888 0.83 MAPK1 (0.57) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL4681966 0.82 MAPT (0.38) ALDH1A1PDE1APDE1BPDE3BPDE1C
SCHEMBL4708510 0.82 ROCK1 (0.36) PTGS2CDK4CCND1CCNE2CCNE1
SCHEMBL1374170 0.81 HRH3 (0.43) GSK3AGSK3BDYRK1A
SCHEMBL3028596 0.76 NOTUM (0.45) GSK3BDYRK1ANOTUMALDH1A1NPC1
SCHEMBL3027304 0.76 KIT (0.38) CDK4CCND1CCNE2CCNE1CDK2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 US disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO 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 (4 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-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B GSK3A 914/4885GSK3B 650/4885DYRK1A 1744/4885
US-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 GSK3A 218/4885GSK3B 93/4885DYRK1A 2437/4885
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A GSK3A 996/4885GSK3B 932/4885DYRK1A 2455/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 GSK3A 935/4885GSK3B 761/4885DYRK1A 651/4885

“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.