SCHEMBL7082848

SCHEMBL7082848

CN(C)c1nc(C(F)(F)F)cc(=O)n1-c1cc(F)c(C#N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.38
BCAT1 P54687 7/20 0.38
ALPL P05186 6/20 0.36
ALPI P09923 6/20 0.36
TRPV4 Q9HBA0 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
USP14 P54578 1/20 0.31

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
SCHEMBL7694103 0.81 MEN1 (0.40) BCAT2BCAT1ALPLALPITRPV4
SCHEMBL8193399 0.79 ALPL (0.39) BCAT2BCAT1ALPLALPIALDH1A1
SCHEMBL7085889 0.72 TRPV4 (0.37) BCAT2BCAT1ALPLALPITRPV4
SCHEMBL7692441 0.71 BCAT2 (0.39) BCAT2BCAT1TRPV4USP14
SCHEMBL8193759 0.71 BCAT2 (0.40) BCAT2BCAT1TRPV4USP14
SCHEMBL5922790 0.69 BCAT1 (0.67) BCAT2BCAT1
SCHEMBL7499656 0.69 BCAT2 (0.41) BCAT2BCAT1TRPV4USP14
SCHEMBL9126592 0.68 L3MBTL1 (0.35) TRPV4CYP11B1CYP11B2
SCHEMBL8927953 0.68 BCAT2 (0.40) BCAT2BCAT1TRPV4CYP11B1CYP11B2
SCHEMBL8190553 0.68 AR (0.42) BCAT2BCAT1TRPV4ALDH1A1USP14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030846-B1 METHOD FOR PRODUCING AR(ALK)YLURACILES, NOVEL CORRESPONDING INTERMEDIATE PRODUCTS AND METHOD FOR PRODUCING SAID INTERMEDIATE PRODUCTS BAYER CROPSCIENCE AG (DE) 2003-07-16 EP disclosed
US-6476224-B2 N-(4-CYANO-2,5- DIFLUORO-PHENYL) -3-(DIMETHYLAMINOCARBONYLAMINO)-4,4,4-TRIFLUORO-2-BUTENAMIDE AND 1,2-DIMETHOXYETHANE ARE HEATED TO FORM AR(ALK)YL URACIL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
US-20020022727-A1 Method for producing ar(alk)yluraciles, novel corresponding intermediate products and method for producing said intermediate products GALLENKAMP BERND (DE) 2002-02-21 US disclosed
US-6225470-B1 HEATING SUBSTITUTED AMINOALKENAMIDES IN PRESENCE OF DILUENTS TO PRODUCE AR(ALK)YLURACIL BAYER AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
EP-1030846-A1 METHOD FOR PRODUCING AR(ALK)YLURACILES, NOVEL CORRESPONDING INTERMEDIATE PRODUCTS AND METHOD FOR PRODUCING SAID INTERMEDIATE PRODUCTS BAYER AG (DE) 2000-08-30 EP disclosed
WO-1999025698-A1 METHOD FOR PRODUCING AR(ALK)YLURACILES, NOVEL CORRESPONDING INTERMEDIATE PRODUCTS AND METHOD FOR PRODUCING SAID INTERMEDIATE PRODUCTS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-27 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 (1 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-20020022727-A1 Method for producing ar(alk)yluraciles, novel corresponding intermediate products and method for producing said intermediate products ALK, ALKBH5, ALKBH1 BCAT2 796/4885BCAT1 895/4885ALPL 3091/4885

“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.