Sugi Predict

Sugi Predict / Compounds / SCHEMBL1009253

SCHEMBL1009253

SCHEMBL1009253

CN(C)CCOc1ccc(-n2nc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)nc-3cc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ MARS1 P56192 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPBWR1 P48145 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CACNA1B Q00975 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ USP1 O94782 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
SCHEMBL1009575 0.90 NPBWR1 (0.34) PTGS2LMNANPSR1NPBWR1GALR3
SCHEMBL1010502 0.87 PTGS1 (0.46) PTGS2PTGS1MARS1LMNANPSR1
SCHEMBL1011833 0.84 PTGS2 (0.43) PTGS2PTGS1MARS1CNR1CNR2
SCHEMBL1008459 0.83 PTGS1 (0.42) PTGS2PTGS1MARS1LMNANPSR1
SCHEMBL1008496 0.81 PPARG (0.32) PTGS2PTGS1LMNANPSR1NPBWR1
SCHEMBL1008468 0.81 PTGS2 (0.36) PTGS2PTGS1MARS1NPBWR1MCHR1
SCHEMBL1009770 0.80 EGLN3 (0.42) PTGS2PTGS1MARS1CNR1CNR2
SCHEMBL1470296 0.79 NPBWR1 (0.37) PTGS2PTGS1NPBWR1MCHR1USP1
SCHEMBL1010396 0.79 MARS1 (0.50) PTGS2PTGS1MARS1CNR1
SCHEMBL1010005 0.79 NPBWR1 (0.43) PTGS2PTGS1MARS1NPSR1NPBWR1

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 PTGS2 560/4885PTGS1 688/4885MARS1 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.