SCHEMBL2994417

SCHEMBL2994417

O=c1c2cc[nH]c2nc(SC(F)F)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
PIK3CG P48736 5/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CA P42336 2/20 0.46
FADS1 O60427 1/20 0.45
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2567576 0.91 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2562603 0.88 FADS1 (0.46) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2564399 0.88 FADS1 (0.48) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2564047 0.87 FADS1 (0.49) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2560508 0.86 FADS1 (0.51) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2995367 0.84 FADS1 (0.54) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2566630 0.84 FADS1 (0.43) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2565059 0.84 FADS1 (0.54) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2561742 0.84 FADS1 (0.43) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2564099 0.83 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAFADS1

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
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES PIK3CD 2105/4885PIK3CG 1887/4885PIK3CB 1806/4885

“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.