SCHEMBL440614

SCHEMBL440614

Cn1nc(C(F)F)c(C=O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9379224 0.92 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL407072 0.87 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16585900 0.83 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL437149 0.79
SCHEMBL15332105 0.79 PIK3CD (0.31)
SCHEMBL29953441 0.78
SCHEMBL17501932 0.78
SCHEMBL29956730 0.77
SCHEMBL748421 0.77
SCHEMBL15331915 0.76 HTR2C (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932312-B2 Process for preparing 5-fluoro-1-methyl-3-difluoromethyl-1H-pyrazole-4-carbaldehyde BAYER CROPSCIENCE AG (DE) 2018-04-03 US claimed
CN-104254523-B Process for preparing 1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carboxylic acid chlorides 拜尔农作物科学股份公司 2017-03-22 CN claimed
EP-2945933-B1 PROCESS FOR PREPARING 5-FLUORO-1-METHYL-3-DIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE BAYER CROPSCIENCE AG (DE) 2016-10-12 EP claimed
EP-2850066-B1 METHOD FOR PRODUCING 1-ALKYL-3-FLUORALKYL-1H-PYRAZOL-CARBOXYLIC ACID CHLORIDES BAYER CROPSCIENCE AG (DE) 2016-03-16 EP claimed
US-20150353502-A1 PROCESS FOR PREPARING 5-FLUORO-1-METHYL-3-DIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE BAYER CROPSCIENCE AG (DE) 2015-12-10 US claimed
EP-2945933-A1 PROCESS FOR PREPARING 5-FLUORO-1-METHYL-3-DIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE Bayer Cropscience AG (DE) 2015-11-25 EP claimed
US-9145369-B2 Process for preparing 1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carboxylic acid chlorides BAYER CROPSCIENCE AG (DE) 2015-09-29 US claimed
US-20150126748-A1 PROCESS FOR PREPARING 1-ALKYL-3-FLUOROALKYL-1H-PYRAZOLE-4-CARBOXYLIC ACID CHLORIDES BAYER CROPSCIENCE AG (DE) 2015-05-07 US claimed
EP-2850066-A1 PROCESS FOR PREPARING 1-ALKYL-3-FLUOROALKYL-1H-PYRAZOLE-4-CARBOXYLIC ACID CHLORIDES Bayer CropScience AG (DE) 2015-03-25 EP claimed
CN-104254523-A Process for preparing 1-alkyl-3-fluoroalkyl-1h-pyrazole-4-carboxylic acid chlorides BAYER CROPSCIENCE AG 2014-12-31 CN claimed
WO-2014111449-A1 PROCESS FOR PREPARING 5-FLUORO-1-METHYL-3-DIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE BAYER CROPSCIENCE AG (DE) 2014-07-24 WO claimed
WO-2013171134-A1 PROCESS FOR PREPARING 1-ALKYL-3-FLUOROALKYL-1H-PYRAZOLE-4-CARBOXYLIC ACID CHLORIDES BAYER CROPSCIENCE AG (DE) 2013-11-21 WO claimed
US-8436191-B2 Preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl chlorides BAYER CROPSCIENCE AG (DE) 2013-05-07 US claimed
CN-102666492-A Process for preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl chloride BAYER CROPSCIENCE AG 2012-09-12 CN claimed
US-20110207940-A1 Preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl chlorides BAYER CROPSCIENCE AG (DE) 2011-08-25 US claimed
EP-2325173-A1 Method for producing 5-fluor-1-alkyl-3-fluoralkyl-1H-pyrazol-4-carboxylic acid chlorides Bayer CropScience AG (DE) 2011-05-25 EP claimed
CN-119954721-A Pyrazole amide derivative, preparation method and application thereof 山东省联合农药工业有限公司 2025-05-09 CN disclosed
CN-119504589-A Method for synthesizing Isoflucypram intermediate 山西玉龙化工有限公司 2025-02-25 CN disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 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-20150353502-A1 PROCESS FOR PREPARING 5-FLUORO-1-METHYL-3-DIFLUOROMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE CYP4X1, CYP4B1, CYP3A5 L3MBTL1 3872/4885CYP1A2 14/4885CYP2C9 28/4885
US-20110207940-A1 Preparing 5-fluoro-1-alkyl-3-fluoroalkyl-1H-pyrazole-4-carbonyl chlorides CBR3, CYP4B1, CYP4F3 L3MBTL1 2630/4885CYP1A2 24/4885CYP2C9 30/4885
US-20150126748-A1 PROCESS FOR PREPARING 1-ALKYL-3-FLUOROALKYL-1H-PYRAZOLE-4-CARBOXYLIC ACID CHLORIDES CBR3, CBR1, CYP4F3 L3MBTL1 2927/4885CYP1A2 26/4885CYP2C9 37/4885

“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.