SCHEMBL1470296

SCHEMBL1470296

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.37
PTGS2 P35354 3/20 0.35
MCHR1 Q99705 1/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
NAMPT P43490 2/20 0.31
GRM2 Q14416 1/20 0.31
STAT3 P40763 1/20 0.31
P2RX7 Q99572 1/20 0.31
USP1 O94782 1/20 0.31

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
SCHEMBL1010005 0.92 NPBWR1 (0.43) NPBWR1PTGS2MCHR1PPARDPPARA
SCHEMBL1008468 0.92 PTGS2 (0.36) NPBWR1PTGS2MCHR1PPARDPPARA
SCHEMBL1009575 0.90 NPBWR1 (0.34) NPBWR1PTGS2MCHR1PPARDPPARA
SCHEMBL1008714 0.90 PTGS2 (0.35) NPBWR1PTGS2MCHR1PPARDPPARA
SCHEMBL1008459 0.89 PTGS1 (0.42) NPBWR1PTGS2PPARDPPARAPPARG
SCHEMBL1062582 0.87 PTGS2 (0.38) NPBWR1PTGS2PPARDPPARAPPARG
SCHEMBL1009171 0.87 PTGS2 (0.33) NPBWR1PTGS2PPARDPPARAPPARG
SCHEMBL1009110 0.85 PTGS2 (0.34) NPBWR1PTGS2PPARDPPARAPPARG
Hydrochloric Acid SCHEMBL1472516 0.85 PTGS2 (0.33) NPBWR1PTGS2PPARDPPARAPPARG
SCHEMBL1009798 0.84 IGF1R (0.38) NPBWR1PTGS2MCHR1PTGS1P2RX7

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 2 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
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

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 NPBWR1 2687/4885PTGS2 560/4885MCHR1 2197/4885

“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.