SCHEMBL6573215

SCHEMBL6573215

CS(=O)(=O)Nc1cc(N)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
KIF11 P52732 1/20 0.35
KHK P50053 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL6574292 0.87 PGR (0.39) PGRSLC22A12KIF11KDM1AMAOA
SCHEMBL6577272 0.85 PSIP1 (0.44) PGRSLC22A12KIF11KHKAR
SCHEMBL4624565 0.79 TRPV4 (0.43) PGRSLC22A12KDM1AMAOANR3C1
SCHEMBL21561086 0.75 KEAP1 (0.42) PGRSLC22A12KIF11NR3C1NR3C2
SCHEMBL1013625 0.74 KIF11 (0.43) PGRSLC22A12KIF11
SCHEMBL7679161 0.72 KHK (0.35) KHKTRPV4
SCHEMBL3779353 0.72 KDM1A (0.38) PGRSLC22A12KDM1AMAOANR3C1
SCHEMBL13660126 0.71 KHK (0.48) KHKMAOAADRB2ADRB1TRPV4
SCHEMBL6573122 0.71 PGR (0.50) PGRSLC22A12KIF11ARTRPV4
SCHEMBL8175336 0.71 GRM1 (0.42) PGRSLC22A12NR3C1NR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1162403-C Heterocyclic benzonitrile 拜尔公司 2004-08-18 CN disclosed
EP-1244615-B1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES BAYER CROPSCIENCE AG (DE) 2004-08-11 EP disclosed
EP-1003718-B1 METHOD FOR THE PRODUCTION OF N-(5-AMINO-2-CYANO-4-FLUORO-PHENYL)-SULPHONAMIDES BAYER CROPSCIENCE AG (DE) 2004-04-28 EP disclosed
US-6545154-B2 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
US-20030040626-A1 Method for the production of N-(5-amino-2-cyano-4-fluoro-phenyl)-sulphonamides and new intermediate products HUPPERTS ACHIM (DE) 2003-02-27 US disclosed
US-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-01-23 US disclosed
EP-1244615-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2,4-DIAMINO-5-FLUORO BENZONITRILES AND NOVEL INTERMEDIATES Bayer Aktiengesellschaft (DE) 2002-10-02 EP disclosed
EP-0648772-B1 4-Cyanophenyliminoheterocycles BAYER AG (DE) 2002-09-04 EP disclosed
US-6395683-B1 CHEMICAL INTERMEDIATE FOR HERBICIDES; APPLYING TO PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-28 US disclosed
EP-0948482-B1 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AG (DE) 2002-04-03 EP disclosed
WO-1999005098-A1 METHOD FOR THE PRODUCTION OF N-(5-AMINO-2-CYANO-4-FLUORO-PHENYL)-SULPHONAMIDES AND NEW INTERMEDIATE PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
US-5858925-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed
US-5756805-A CHEMICAL INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
EP-0648749-B1 N-cyanoaryl nitrogencontaining heterocycles BAYER AG (DE) 1997-12-10 EP disclosed
US-5681794-A HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
EP-0757673-A1 HETEROCYCLYLBENZONITRILES BAYER AG (DE) 1997-02-12 EP disclosed
US-5593945-A HERBICIDES AND CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
WO-1995029158-A1 HETEROCYCLYLBENZONITRILES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-02 WO disclosed
EP-0648772-A1 4-Cyanophenylheterocycles BAYER AG (DE) 1995-04-19 EP disclosed
EP-0648749-A2 N-cynanoaryl nitrogencontaining heterocycles BAYER AG (DE) 1995-04-19 EP 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-20030040626-A1 Method for the production of N-(5-amino-2-cyano-4-fluoro-phenyl)-sulphonamides and new intermediate products PFAS, SRM, NISCH PGR 4825/4885SLC22A12 2271/4885KIF11 3088/4885
US-20030017948-A1 Method for producing n-substituted 2,4-diamino-5-fluoro benzonitriles and novel intermediates DDT, PFAS, DAO PGR 4770/4885SLC22A12 3579/4885KIF11 1216/4885

“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.