SCHEMBL1010223

SCHEMBL1010223

O=c1c2nn(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)cc-2nn1Cc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
MARS1 P56192 2/20 0.35
MIF P14174 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CCR2 P41597 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RIPK3 Q9Y572 1/20 0.32

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
SCHEMBL1010707 0.93 PTGS2 (0.39) PTGS1PTGS2NR1H2NR1H3PKM
SCHEMBL1010502 0.88 PTGS1 (0.46) PTGS1PTGS2NR1H2NR1H3MARS1
SCHEMBL1011833 0.83 PTGS2 (0.43) PTGS1PTGS2MARS1RXRARXRB
SCHEMBL1008459 0.81 PTGS1 (0.42) PTGS1PTGS2MARS1CNR1CNR2
SCHEMBL1009770 0.81 EGLN3 (0.42) PTGS1PTGS2MARS1CNR1CNR2
SCHEMBL1010473 0.79 PTGS1 (0.42) PTGS1PTGS2MARS1CNR1LMNA
SCHEMBL1009246 0.78 PTGS1 (0.41) PTGS1PTGS2MARS1LMNAMAPT
SCHEMBL1009253 0.77 PTGS2 (0.38) PTGS1PTGS2MARS1CNR1CNR2
SCHEMBL1010396 0.77 MARS1 (0.50) PTGS1PTGS2MARS1CNR1
SCHEMBL1008714 0.75 PTGS2 (0.35) PTGS1PTGS2PKMPKLRCNR1

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 560/4885NR1H2 568/4885

“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.