SCHEMBL1010396

SCHEMBL1010396

O=c1c2nn(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)cc-2nn1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.50
GCGR P47871 13/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GIPR P48546 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR2C P28335 1/20 0.36
CNR1 P21554 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL1010452 0.92 MARS1 (0.49) MARS1GCGRPTGS1PTGS2GIPR
SCHEMBL1009235 0.90 MARS1 (0.47) MARS1GCGRPTGS1PTGS2GIPR
SCHEMBL1010502 0.84 PTGS1 (0.46) MARS1PTGS1PTGS2CYP2C9CNR1
SCHEMBL1009782 0.83 MARS1 (0.40) MARS1GCGRGIPRCYP3A4CYP2C8
SCHEMBL1008177 0.82 MARS1 (0.43) MARS1PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL1010473 0.81 PTGS1 (0.42) MARS1PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL1011833 0.81 PTGS2 (0.43) MARS1PTGS1PTGS2CYP2C9CNR1
SCHEMBL1009770 0.80 EGLN3 (0.42) MARS1PTGS1PTGS2CNR1
SCHEMBL1009253 0.79 PTGS2 (0.38) MARS1PTGS1PTGS2CNR1
SCHEMBL1009578 0.79 CNR1 (0.40) MARS1PTGS1PTGS2CYP3A4CYP2C9

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 5 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 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 MARS1 2276/4885GCGR 2049/4885PTGS1 688/4885

“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.