SCHEMBL4515409

SCHEMBL4515409

CCOC(=O)c1cn(C)nc1C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TSHR P16473 1/20 0.43
JMJD6 Q6NYC1 3/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
TEAD2 Q15562 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL963986 0.88 BAZ2B (0.43) BAZ2BBAZ2AADORA3ADORA2AADORA1
SCHEMBL862681 0.86 ADORA3 (0.45) BAZ2BBAZ2AADORA3ADORA2AADORA1
SCHEMBL19186 0.84 JMJD6 (0.44) BAZ2BBAZ2AADORA3ADORA2AADORA1
SCHEMBL3296730 0.84 MAPT (0.39) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL2251889 0.84 TSHR (0.47) TSHRNPSR1KDM4EHSD17B10TP53
SCHEMBL28553124 0.81 BAZ2B (0.46) BAZ2BBAZ2AADORA3ADORA2AADORA1
SCHEMBL3251664 0.80 GAA (0.34) TSHRKDM4ENPC1RAB9AALDH1A1
SCHEMBL1862734 0.80 KDM4E (0.43) BAZ2BBAZ2AADORA3ADORA2AADORA1
SCHEMBL7911428 0.79 BAZ2B (0.53) BAZ2BBAZ2AADORA3ADORA2AADORA1
SCHEMBL3267578 0.78 TSHR (0.50) BAZ2BBAZ2AADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218448-B A kind of synthetic method of the pyrazole carboxylic acid of 1 methyl, 3 difluoromethyl 4 江苏恒润制药有限公司 2017-11-07 CN claimed
CN-105218448-A A kind of synthetic method of 1-methyl-3-difluoromethyl-4-pyrazole carboxylic acid Jiangsu hengrun pharmaceutical co ltd 2016-01-06 CN claimed
CN-120118034-A Synthesis method of 3-difluoromethyl-1-methylpyrazole-4-carboxylic acid 辽宁龙田化工科技有限公司 2025-06-10 CN disclosed
CN-120118034-A Synthesis method of 3-difluoromethyl-1-methylpyrazole-4-carboxylic acid 辽宁龙田化工科技有限公司 2025-06-10 CN disclosed
CN-117447401-B Synthesis method of difluoro pyrazole acid 山东国邦药业有限公司 2024-04-19 CN disclosed
CN-117447401-A Synthesis method of difluoro pyrazole acid 山东国邦药业有限公司 2024-01-26 CN disclosed
CN-106467492-B preparation method of polyfluoromethyl pyrazole compound, intermediate and preparation method 联化科技(盐城)有限公司 2019-12-17 CN disclosed
CN-105218448-B A kind of synthetic method of the pyrazole carboxylic acid of 1 methyl, 3 difluoromethyl 4 江苏恒润制药有限公司 2017-11-07 CN disclosed
US-9278935-B2 Method for preparing a fluorinated organic compound RHODIA OPERATIONS (FR) 2016-03-08 US disclosed
CN-105218448-A A kind of synthetic method of 1-methyl-3-difluoromethyl-4-pyrazole carboxylic acid Jiangsu hengrun pharmaceutical co ltd 2016-01-06 CN disclosed
EP-1682515-B1 METHOD FOR THE PRODUCTION OF FLUOROMETHYL-SUBSTITUTED HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
CN-103582631-A Method for preparing a fluorinated organic compound RHODIA OPERATIONS 2014-02-12 CN disclosed
EP-1678119-B1 METHOD FOR PRODUCING 2-DIHALOACYL-3-AMINO-ACRYLIC ACID ESTERS AND 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID ESTERS BAYER CROPSCIENCE AG (DE) 2011-01-05 EP disclosed
US-7501527-B2 Method for the production of fluoromethyl-substituted heterocycles BAYER CROPSCIENCE GMBH (DE) 2009-03-10 US disclosed
US-7501527-B2 Method for the production of fluoromethyl-substituted heterocycles BAYER CROPSCIENCE GMBH (DE) 2009-03-10 US disclosed
US-7358387-B2 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-7358387-B2 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-7358387-B2 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AG (DE) 2008-04-15 US disclosed
US-20060276656-A1 Method for the production of fluoromethyl-substituted heterocycles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-12-07 US disclosed
US-20060252944-A1 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-11-09 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 (2 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-20060276656-A1 Method for the production of fluoromethyl-substituted heterocycles FLI1, CBR3, CBR1 BAZ2B 3142/4885BAZ2A 3559/4885ADORA3 1563/4885
US-20060252944-A1 Method for producing 2-dihaloacyl-3-amino-acrylic acid esters and 3-dihalomethyl pyrazole-4-carboxylic acid esters DDC, IDUA, AADAT BAZ2B 1400/4885BAZ2A 1479/4885ADORA3 50/4885

“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.