SCHEMBL2835173

SCHEMBL2835173

Fc1cc(C(F)(F)F)ccc1NNCl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
PDE2A O00408 3/20 0.40
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
APP P05067 1/20 0.36
MCL1 Q07820 1/20 0.36
TSHR P16473 1/20 0.36
MPL P40238 1/20 0.35

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
SCHEMBL3161607 0.81 ALDH1A1 (0.53) KIF11PDE2AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL5745586 0.79 ALDH1A1 (0.51) KIF11PDE2AALDH1A1MAPTMEN1
SCHEMBL9230325 0.76 PDE2A (0.46) KIF11PDE2AIDO1ALDH1A1MAPT
SCHEMBL31757615 0.76 PDE2A (0.46) KIF11PDE2AIDO1ALDH1A1MAPT
SCHEMBL11406449 0.76 KIF11 (0.46) KIF11PDE2AIDO1ALDH1A1MAPT
SCHEMBL3380576 0.76 CA1 (0.47) KIF11PDE2AIDO1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28445367 0.74 PDE2A (0.44) KIF11PDE2AIDO1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL21617978 0.74 IDO1 (0.47) KIF11PDE2AIDO1ALDH1A1MAPT
Water SCHEMBL5713138 0.74 GAA (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11582855 0.73 MAPK1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA

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 25 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-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
EP-2852577-A2 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS Merial Limited (US) 2015-04-01 EP disclosed
US-20150073153-A1 PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL LIMITED (US) 2015-03-12 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
US-RE37495-E1 Substituted 1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
US-5580843-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-4936892-A HERBICIDES; PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-06-26 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 (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-20150073153-A1 PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS SULT1A1, CYP1B1, CYP2F1 KIF11 1570/4885PDE2A 4058/4885IDO1 508/4885
US-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 KIF11 1085/4885PDE2A 2071/4885IDO1 2355/4885
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof CBR3, CBR1, NR5A2 KIF11 1111/4885PDE2A 2162/4885IDO1 2339/4885
US-20150133506-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 KIF11 1085/4885PDE2A 2071/4885IDO1 2355/4885

“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.