SCHEMBL1008459

SCHEMBL1008459

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
CNR1 P21554 4/20 0.38
CNR2 P34972 3/20 0.38
MARS1 P56192 5/20 0.35
ALOX5 P09917 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPBWR1 P48145 1/20 0.34
GRM2 Q14416 1/20 0.34
PTGER4 P35408 1/20 0.34
MDM2 Q00987 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1008714 0.95 PTGS2 (0.35) PTGS1PTGS2CNR1CNR2ALOX5
SCHEMBL1010502 0.92 PTGS1 (0.46) PTGS1PTGS2CNR1CNR2MARS1
SCHEMBL1062582 0.92 PTGS2 (0.38) PTGS1PTGS2CNR1CNR2ALOX5
SCHEMBL1009171 0.92 PTGS2 (0.33) PTGS1PTGS2CNR1CNR2ALOX5
SCHEMBL1010005 0.90 NPBWR1 (0.43) PTGS1PTGS2MARS1NPSR1NPBWR1
SCHEMBL1010707 0.90 PTGS2 (0.39) PTGS1PTGS2CNR1CNR2MARS1
SCHEMBL1009110 0.90 PTGS2 (0.34) PTGS1PTGS2ALOX5NPBWR1GRM2
SCHEMBL1009235 0.89 MARS1 (0.47) PTGS1PTGS2MARS1LMNANPBWR1
SCHEMBL1470296 0.89 NPBWR1 (0.37) PTGS1PTGS2NPBWR1GRM2PPARG
Hydrochloric Acid SCHEMBL1472516 0.89 PTGS2 (0.33) PTGS1PTGS2NPBWR1GRM2PPARG

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 PTGS1 688/4885PTGS2 560/4885CNR1 183/4885

“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.