SCHEMBL1271341

SCHEMBL1271341

CC(=O)n1cc(C(F)(F)F)c(N)nc1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.35
XPO1 O14980 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CFTR P13569 1/20 0.33
MAP3K12 Q12852 2/20 0.32
SCN9A Q15858 1/20 0.32
NOTUM Q6P988 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
SCHEMBL1739594 0.78 ALB (0.38) NOTUM
SCHEMBL5694237 0.76 EP300 (0.34) NOTUM
SCHEMBL28449256 0.75 SMN1; SMN2 (0.34) NOTUM
SCHEMBL4727065 0.75 NOTUM (0.30) NOTUM
SCHEMBL22468257 0.68 TET2 (0.49)
SCHEMBL3825417 0.65 LMNA (0.44)
SCHEMBL3826358 0.65 LMNA (0.44)
SCHEMBL5694084 0.63 DNMT1 (0.37) NOTUM
SCHEMBL21186 0.63 NOTUM (0.43) NOTUM
SCHEMBL27798766 0.62 ALB (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947092-B1 Method for producing nucleic acid base having perfluoroalkyl group TOSOH CORP (JP) 2015-04-15 EP disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same TOSOH CORPORATION (JP) 2009-05-14 US disclosed
EP-1947092-A1 NUCLEIC ACID BASE HAVING PERFLUOROALKYL GROUP AND METHOD FOR PRODUCING THE SAME Tosoh Corporation (JP) 2008-07-23 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 (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-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same PFAS, FPGS, NUDT1 PIK3CA 2902/4885XPO1 483/4885PIK3CD 4029/4885

“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.