SCHEMBL2566630

SCHEMBL2566630

O=c1c2cc[nH]c2nc(SC2CC2)n1-c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.43
PIK3CD O00329 5/20 0.43
PIK3CG P48736 4/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CA P42336 2/20 0.43
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MGAT2 Q10469 1/20 0.37
VCP P55072 5/20 0.34
LIPE Q05469 3/20 0.34
TP53 P04637 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 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
SCHEMBL2559383 0.87 FADS1 (0.46) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2562603 0.86 FADS1 (0.46) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2564399 0.86 FADS1 (0.48) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2564047 0.85 FADS1 (0.49) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2994417 0.84 PIK3CD (0.46) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2560508 0.84 FADS1 (0.51) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2567576 0.83 PIK3CD (0.49) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2995367 0.82 FADS1 (0.54) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2565059 0.82 FADS1 (0.54) FADS1PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2564099 0.81 PIK3CD (0.47) FADS1PIK3CDPIK3CGPIK3CBPIK3CA

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 5 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
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 FADS1 140/4885PIK3CD 2105/4885PIK3CG 1887/4885

“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.