SCHEMBL1009782

SCHEMBL1009782

COc1ccc(-c2cc3nn(Cc4ccc(OC(F)(F)F)cc4)c(=O)c-3nn2-c2ccc(SC)cc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.40
GCGR P47871 8/20 0.37
CHRM5 P08912 2/20 0.37
GIPR P48546 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPBWR1 P48145 3/20 0.36
MCHR1 Q99705 2/20 0.36
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 1/20 0.35
HTR2C P28335 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1009235 0.93 MARS1 (0.47) MARS1GCGRGIPRCYP3A4CYP2C8
SCHEMBL1009798 0.92 IGF1R (0.38) MARS1CYP3A4CYP2C9NPBWR1MCHR1
SCHEMBL1010005 0.92 NPBWR1 (0.43) MARS1CYP3A4CYP2C9NPBWR1MCHR1
SCHEMBL1470296 0.84 NPBWR1 (0.37) NPBWR1MCHR1PPARDPPARAPPARG
SCHEMBL1010260 0.83 IGF1R (0.35)
SCHEMBL1008714 0.83 PTGS2 (0.35) CHRM5CYP2C9NPBWR1MCHR1PPARD
SCHEMBL1008177 0.83 MARS1 (0.43) MARS1CYP3A4CYP2C9NPBWR1MCHR1
SCHEMBL1010396 0.83 MARS1 (0.50) MARS1GCGRGIPRCYP3A4CYP2C8
SCHEMBL1008468 0.82 PTGS2 (0.36) MARS1CYP2C9KCNH2NPBWR1MCHR1
SCHEMBL1010452 0.82 MARS1 (0.49) MARS1GCGRGIPRCYP3A4CYP2C8

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 6 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-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
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 MARS1 2276/4885GCGR 2049/4885CHRM5 540/4885

“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.