SCHEMBL1010485

SCHEMBL1010485

CSc1ccc(-n2nc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)nc-3cc2-c2ccc(SCCNC(=O)C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PPARD Q03181 4/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
CYP2C9 P11712 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
NAMPT P43490 2/20 0.31
PTGER4 P35408 1/20 0.30
HDAC1 Q13547 1/20 0.30
TP53 P04637 1/20 0.30
GCGR P47871 1/20 0.30

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
SCHEMBL1008650 0.94 PPARG (0.33) CNR1CNR2PPARDPPARGPPARA
SCHEMBL1009249 0.91 NAMPT (0.37) CNR1CNR2PPARDPPARGPPARA
SCHEMBL1010447 0.89 PPARG (0.30) PPARDPPARGPPARA
SCHEMBL1010504 0.89 PPARG (0.30) PPARDPPARGPPARA
SCHEMBL1009110 0.88 PTGS2 (0.34) PPARDPPARGPPARACYP2C9PTGDR2
SCHEMBL1008550 0.88 PTGS2 (0.33) PPARDPPARGPPARAALDH1A1PTGS1
SCHEMBL1009181 0.88 GRM2 (0.34) CNR1CNR2PPARDPPARGPPARA
Hydrochloric Acid SCHEMBL1472516 0.88 PTGS2 (0.33) PPARDPPARGPPARACYP2C9PTGDR2
SCHEMBL1008714 0.87 PTGS2 (0.35) CNR1CNR2PPARDPPARGPPARA
SCHEMBL1008999 0.87 IGF1R (0.32) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US claimed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP claimed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 US claimed
EP-2094706-A2 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2009-09-02 EP claimed
WO-2008068424-A2 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-06-12 WO claimed
US-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US disclosed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP disclosed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 US disclosed
EP-2094706-A2 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2009-09-02 EP disclosed
WO-2008068424-A2 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-06-12 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-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME DHFR, DPYD, QDPR CNR1 183/4885CNR2 157/4885PPARD 397/4885

“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.