SCHEMBL2562641

SCHEMBL2562641

Nc1nc2[nH]ccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.49
PIK3CG P48736 5/20 0.49
PIK3CB P42338 3/20 0.49
PIK3CA P42336 2/20 0.49
FADS1 O60427 1/20 0.42
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
DYRK1A Q13627 1/20 0.35
MAPT P10636 1/20 0.34
MET P08581 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TNNI3K Q59H18 1/20 0.34
PKM P14618 1/20 0.33
LIPE Q05469 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
SCHEMBL2564099 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2565920 0.84 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2564399 0.84 FADS1 (0.48) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2561251 0.84 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2562603 0.84 FADS1 (0.46) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2561841 0.83 PIK3CD (0.46) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2561967 0.83 PIK3CD (0.44) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2564047 0.83 FADS1 (0.49) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2561168 0.83 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIK3CAFADS1
SCHEMBL2564777 0.82 PIK3CD (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
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.