Sugi Predict

Sugi Predict / Compounds / SCHEMBL1008714

SCHEMBL1008714

SCHEMBL1008714

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ NPBWR1 P48145 3/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 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
SCHEMBL1008459 0.95 PTGS1 (0.42) PTGS2PTGS1NPBWR1GRM2CYP2C9
SCHEMBL1009171 0.93 PTGS2 (0.33) PTGS2PTGS1NPBWR1GRM2CYP2C9
SCHEMBL1062582 0.93 PTGS2 (0.38) PTGS2PTGS1NPBWR1GRM2CYP2C9
SCHEMBL1009110 0.93 PTGS2 (0.34) PTGS2PTGS1NPBWR1GRM2CYP2C9
Hydrochloric Acid SCHEMBL1472516 0.92 PTGS2 (0.33) PTGS2PTGS1NPBWR1GRM2CYP2C9
SCHEMBL1010005 0.92 NPBWR1 (0.43) PTGS2PTGS1NPBWR1CYP2C9PPARG
SCHEMBL1010260 0.91 IGF1R (0.35) PTGS2PTGS1
SCHEMBL1009181 0.91 GRM2 (0.34) PTGS2PTGS1NPBWR1GRM2CYP2C9
SCHEMBL1008496 0.91 PPARG (0.32) PTGS2PTGS1NPBWR1GRM2PPARG
SCHEMBL1470296 0.90 NPBWR1 (0.37) PTGS2PTGS1NPBWR1GRM2PPARG

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 PTGS2 560/4885PTGS1 688/4885NPBWR1 2687/4885

“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.