SCHEMBL2559976

SCHEMBL2559976

CC(C)Oc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)C(F)(F)F)cc1)CC(=O)N2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.33
PIK3CG P48736 3/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CA P42336 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LIPE Q05469 2/20 0.31
KCNH2 Q12809 5/20 0.31
HRH3 Q9Y5N1 5/20 0.31
FADS1 O60427 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2576769 0.92 PIK3CD (0.38) PIK3CDPIK3CGPIK3CBPIK3CAPDE10A
SCHEMBL2568132 0.89 MMP13 (0.33) MMP13MMP14PDE10AKCNH2HRH3
SCHEMBL2561257 0.89 MAPT (0.35) MMP13MMP14KCNH2HRH3POLB
SCHEMBL2564084 0.87 FADS1 (0.35) PIK3CDPIK3CGPIK3CBPIK3CAMMP13
SCHEMBL2564400 0.87 FADS1 (0.35) PIK3CDPIK3CGPIK3CBPIK3CAMMP13
SCHEMBL2559981 0.87 ALDH1A1 (0.36) MMP13MMP14LIPEKCNH2HRH3
SCHEMBL3005623 0.86 AXL (0.34) AXLMERTKMMP13MMP14KCNH2
SCHEMBL3004168 0.85 SMN1; SMN2 (0.33) MMP13MMP14KCNH2HRH3
SCHEMBL2563809 0.84 TSHR (0.44) PIK3CDPIK3CGAXLMERTKPIK3CB
SCHEMBL2561190 0.83 ALDH1A1 (0.41) MMP13MMP14KCNH2HRH3FADS1

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 1887/4885AXL 4051/4885

“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.