SCHEMBL2835106

SCHEMBL2835106

Cc1c([S+]([O-])C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.48
GABRA2 P47869 17/20 0.48
GABRB2 P47870 17/20 0.48
GABRP O00591 14/20 0.48
GABRD O14764 14/20 0.48
GABRA1 P14867 14/20 0.48
GABRB1 P18505 14/20 0.48
GABRG2 P18507 14/20 0.48
GABRA5 P31644 14/20 0.48
GABRA3 P34903 14/20 0.48
GABRA4 P48169 14/20 0.48
GABRE P78334 14/20 0.48
GABRA6 Q16445 14/20 0.48
GABRG1 Q8N1C3 14/20 0.48
GABRG3 Q99928 14/20 0.48
GABRQ Q9UN88 14/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2839803 0.95 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835863 0.93 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2841648 0.93 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027650 0.89 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2836824 0.87 GABRP (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5201997 0.87 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2492625 0.87 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055776 0.86 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14310918 0.86 GABRB3 (0.35) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7673675 0.86 GABRB3 (0.47) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334534-B Improved process for preparing 1-aryl-5-alkylpyrazole compounds 勃林格殷格翰动物保健美国公司 2020-01-10 CN disclosed
EP-3184510-B1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL INC (US) 2019-06-12 EP disclosed
EP-3184510-A1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS Merial, Inc. (US) 2017-06-28 EP disclosed
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
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
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
US-9273007-B2 Processes for the preparation of 1-aryl-5-alkyl pyrazole compounds MERIAL, INC. (US) 2016-03-01 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-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-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
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
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
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
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 (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-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

“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.