SCHEMBL1009682

SCHEMBL1009682

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MARS1 P56192 9/20 0.35
IGF1R P08069 3/20 0.33
SMPD1 P17405 1/20 0.31
GRM2 Q14416 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 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
SCHEMBL1010473 0.95 PTGS1 (0.42) PTGS1PTGS2MARS1IGF1RGRM2
SCHEMBL1009301 0.92 PTGS1 (0.40) PTGS1PTGS2MARS1IGF1RGRM2
SCHEMBL1009867 0.90 IGF1R (0.34) PTGS1PTGS2IGF1R
SCHEMBL1008177 0.89 MARS1 (0.43) PTGS1PTGS2MARS1IGF1RCYP1A2
SCHEMBL1009210 0.87 CNR1 (0.41) PTGS1PTGS2IGF1RALDH1A1CYP1A2
SCHEMBL1010452 0.86 MARS1 (0.49) PTGS1PTGS2MARS1CYP3A4CYP2C9
SCHEMBL1010260 0.86 IGF1R (0.35) PTGS1PTGS2IGF1RCA1CA2
SCHEMBL1009664 0.86 PTGS1 (0.39) PTGS1PTGS2MARS1IGF1RCA1
SCHEMBL1009246 0.85 PTGS1 (0.41) PTGS1PTGS2MARS1GRM2NPSR1
SCHEMBL1009584 0.84 IGF1R (0.33) PTGS1PTGS2IGF1R

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-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

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 560/4885MARS1 2276/4885

“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.