SCHEMBL2833436

SCHEMBL2833436

Cc1c(SC(F)(F)F)c(C#N)nn1-c1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.44
GABRA2 P47869 18/20 0.44
GABRB2 P47870 18/20 0.44
GABRP O00591 16/20 0.44
GABRD O14764 16/20 0.44
GABRA1 P14867 16/20 0.44
GABRB1 P18505 16/20 0.44
GABRG2 P18507 16/20 0.44
GABRA5 P31644 16/20 0.44
GABRA3 P34903 16/20 0.44
GABRA4 P48169 16/20 0.44
GABRE P78334 16/20 0.44
GABRA6 Q16445 16/20 0.44
GABRG1 Q8N1C3 16/20 0.44
GABRG3 Q99928 16/20 0.44
GABRQ Q9UN88 16/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2837706 0.93 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835183 0.93 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2837689 0.92 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2833559 0.92 GABRP (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2839181 0.91 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2836959 0.87 GABRP (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2837711 0.85 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10482931 0.85 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2838488 0.85 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2837035 0.84 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852577-B1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL INC (US) 2017-03-01 EP disclosed
US-9339033-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. (US) 2016-05-17 US disclosed
EP-2035390-B1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL INC (US) 2015-12-09 EP disclosed
US-20150133506-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2015-05-14 US disclosed
US-8785372-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE 2014-07-22 US disclosed
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2013-12-05 US disclosed
US-8445519-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2013-05-21 US disclosed
EP-2465851-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof Aventis Agriculture (FR) 2012-06-20 EP disclosed
US-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF MERIAL, INC. 2010-09-30 US disclosed
US-7759381-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2010-07-20 US disclosed
EP-2035390-A2 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF Aventis Agriculture (FR) 2009-03-18 EP disclosed
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. 2008-02-07 US disclosed
WO-2008005489-A2 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2008-01-10 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 (4 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-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 GABRB3 1201/4885GABRA2 1488/4885GABRB2 1394/4885
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof CBR3, CBR1, NR5A2 GABRB3 1160/4885GABRA2 1437/4885GABRB2 1325/4885
US-20150133506-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 GABRB3 1201/4885GABRA2 1488/4885GABRB2 1394/4885
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 GABRB3 1201/4885GABRA2 1488/4885GABRB2 1394/4885

“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.