SCHEMBL4249675

SCHEMBL4249675

Cc1ccccc1-n1nc(CC2(c3ccc(F)cc3)OCCO2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 5/20 0.40
MAPK13 O15264 3/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK14 Q16539 5/20 0.37
MAPK12 P53778 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
OPRM1 P35372 1/20 0.35
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5798494 0.89 MAPK11 (0.35) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4247801 0.86 MAPK11 (0.42) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4240705 0.72 LMNA (0.47) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4237564 0.67 AKR1B1 (0.38) MEN1KMT2A
SCHEMBL4239808 0.67 MAPK11 (0.46) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5797396 0.65 MAPK14 (0.47) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL29594017 0.65 MAPK13 (0.62) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4239825 0.65 MAPK13 (0.62) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4241278 0.63 MAPK13 (0.57) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5798754 0.63 PIM1 (0.40) MAPK11MAPK13CYP2C9MAPK14MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 US disclosed
EP-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 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 (1 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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 MAPK11 1195/4885MAPK13 1439/4885CYP2C9 359/4885

“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.