SCHEMBL963986

SCHEMBL963986

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
JMJD6 Q6NYC1 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
KLK7 P49862 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4515409 0.88 BAZ2B (0.46) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL19186 0.88 JMJD6 (0.44) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL862681 0.83 ADORA3 (0.45) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL1862734 0.83 KDM4E (0.43) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL460661 0.80 LMNA (0.34) KDM4EGAARAB9ALMNA
SCHEMBL31265247 0.79 TSHR (0.41) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL16106085 0.79 ADORA2A (0.34) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL28553124 0.79 BAZ2B (0.46) BAZ2BBAZ2AJMJD6ADORA3ADORA2A
SCHEMBL1085956 0.78 ADORA2A (0.36) ADORA2AADORA1GAANPC1RAB9A
SCHEMBL31265255 0.78 JMJD6 (0.41) BAZ2BBAZ2AJMJD6TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8629288-B2 Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-14 US disclosed
US-8592605-B2 Method for the regioselective synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-08-01 US disclosed
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-08-01 US disclosed
US-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2013-08-01 US disclosed
EP-2257532-B1 METHOD FOR REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-1-PYRAZOL-4-CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-05-29 EP disclosed
EP-2257532-B1 METHOD FOR REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-1-PYRAZOL-4-CARBONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-05-29 EP disclosed
US-8350053-B2 Process for the regioselective preparation of 1-alkyl-3-haloalkylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-01-08 US disclosed
EP-2100883-A1 Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives Bayer CropScience AG (DE) 2009-09-16 EP disclosed
WO-2009106230-A2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL–PYROAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2009-09-03 WO disclosed
WO-2009106230-A2 METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL–PYROAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTENGESELLSCHAFT (DE) 2009-09-03 WO disclosed
EP-2057126-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2009-05-13 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-7501527-B2 Method for the production of fluoromethyl-substituted heterocycles BAYER CROPSCIENCE GMBH (DE) 2009-03-10 US disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 WO disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 WO disclosed
US-20060276656-A1 Method for the production of fluoromethyl-substituted heterocycles BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-12-07 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-20130197239-A1 Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives ATL3, HCAR3, AADAC BAZ2B 576/4885BAZ2A 581/4885JMJD6 628/4885
US-20060276656-A1 Method for the production of fluoromethyl-substituted heterocycles FLI1, CBR3, CBR1 BAZ2B 3142/4885BAZ2A 3559/4885JMJD6 385/4885

“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.