SCHEMBL1134824

SCHEMBL1134824

Cn1cc(C(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)c(C(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.51
CHRM2 P08172 4/20 0.46
CHRM1 P11229 4/20 0.46
JAK2 O60674 3/20 0.44
JAK1 P23458 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
DCAF1 Q9Y4B6 1/20 0.41

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
SCHEMBL1767591 0.93 CHRM3 (0.46) CHRM3CHRM2CHRM1JAK2JAK1
SCHEMBL302468 0.90 JAK2 (0.48) CHRM3CHRM1JAK2JAK1DCAF1
SCHEMBL28496948 0.89 JAK2 (0.45) CHRM3JAK2JAK1DCAF1
SCHEMBL1134849 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1TAS1R3TAS1R1
SCHEMBL13491718 0.89 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL1136276 0.88 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL1900167 0.87 JAK2 (0.44) CHRM3JAK2JAK1DCAF1
SCHEMBL68043 0.87 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL29445383 0.87 CHRM3 (0.51) CHRM3CHRM2CHRM1
SCHEMBL29349968 0.87 CHRM3 (0.51) CHRM3CHRM2CHRM1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285779-B1 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-03-27 EP claimed
US-8350046-B2 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-01-08 US claimed
US-20110054183-A1 Method For Manufacturing Aryl Carboxamides BASF SE 2011-03-03 US claimed
EP-2300417-B1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2015-07-22 EP disclosed
EP-2496560-B1 PROCESS FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2015-04-22 EP disclosed
EP-2288597-B1 METHOD FOR PREPARING 1,3,4-SUBSTITUTED PYRAZOL COMPOUNDS BASF SE (DE) 2014-10-29 EP disclosed
EP-2496561-B1 PROCESS FOR PREPARING AMINALE AND THEIR USE FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2014-06-04 EP disclosed
US-8598222-B2 Method for preparing 1,3,4-substituted pyrazol compounds BASF SE (DE) 2013-12-03 US disclosed
US-8592578-B2 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-11-26 US disclosed
US-8586750-B2 Method for the production of halogen-substituted 2-(aminomethylidene)-3-oxobutyric acid esters BASF SE (DE) 2013-11-19 US disclosed
EP-2285779-B1 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-03-27 EP disclosed
US-20110040096-A1 Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters BASF SE (DE) 2011-02-17 US disclosed
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds BASF SE (DE) 2010-07-22 US disclosed
EP-2158185-A2 METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED PYRAZOLE COMPOUNDS Basf Se (DE) 2010-03-03 EP disclosed
WO-2009135808-A2 METHOD FOR PREPARING 1,3,4-SUBSTITUTED PYRAZOL COMPOUNDS BASF SE (DE) 2009-11-12 WO disclosed
WO-2009135860-A1 METHOD FOR MANUFACTURING ARYL CARBOXAMIDES BASF SE (DE) 2009-11-12 WO disclosed
WO-2009133178-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2009-11-05 WO disclosed
WO-2009133179-A2 METHOD FOR THE PRODUCTION OF HALOGEN-SUBSTITUTED 2-(AMINOMETHYLIDENE)-3- OXOBUTYRIC ACID ESTERS BASF SE (DE) 2009-11-05 WO disclosed
WO-2008152138-A2 METHOD FOR PRODUCING DIFLUOROMETHYL-SUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2008-12-18 WO disclosed
WO-2008014905-A2 3-DIFLUOROMETHYLPYRAZOLYLCARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2008-02-07 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 (3 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-20110054183-A1 Method For Manufacturing Aryl Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, CBR1 CHRM3 910/4885CHRM2 1036/4885CHRM1 957/4885
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds NR4A1, NR4A3, NR3C1 CHRM3 183/4885CHRM2 292/4885CHRM1 120/4885
US-20110040096-A1 Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters AADAC, CBR3, AOC3 CHRM3 121/4885CHRM2 141/4885CHRM1 189/4885

“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.