SCHEMBL3036044

SCHEMBL3036044

CCn1nc(-c2cccc(C)c2)c(C(C)=O)c(N)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
CSF1R P07333 1/20 0.52
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CDK8 P49336 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CDK5 Q00535 1/20 0.52
PRKCQ Q04759 1/20 0.52
LRRK2 Q5S007 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
RIPK2 O43353 2/20 0.47
PDE4B Q07343 3/20 0.47
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 2/20 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
SCHEMBL4059360 0.91 RIPK2 (0.47) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL4055388 0.91 RIPK2 (0.56) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL4060209 0.87 HSD17B10 (0.46) RIPK2PDE4BADRA1DADRA1AADRA1B
SCHEMBL4050910 0.87 PDE4A (0.49) RIPK2PDE4BSMN1; SMN2PDE4APDE4C
SCHEMBL2823308 0.87 KDR (0.51) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL3032899 0.86 CSF1R (0.69) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL3028623 0.85 RIPK2 (0.50) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL3029722 0.85 CSF1R (0.53) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL1652258 0.83 PDE4B (0.48) KDRCSF1RFGFR1FLT1CSNK1A1
SCHEMBL3040791 0.81 TBXAS1 (0.59) KDRCSF1RFGFR1FLT1CSNK1A1

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 9 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 disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 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-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-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 (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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B KDR 603/4885CSF1R 2535/4885FGFR1 1861/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B KDR 679/4885CSF1R 2868/4885FGFR1 2317/4885
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 KDR 2538/4885CSF1R 2518/4885FGFR1 3345/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B KDR 603/4885CSF1R 2535/4885FGFR1 1861/4885

“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.