SCHEMBL2566878

SCHEMBL2566878

O=C1Cc2c(nc(SCC3CC3)n(-c3ccc(OCC(F)(F)F)c(F)c3)c2=O)N1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.35
IDH1 O75874 2/20 0.32
TNK2 Q07912 1/20 0.31
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
HTR2A P28223 1/20 0.30
FADS1 O60427 1/20 0.30
UGCG Q16739 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL2560948 0.89 ALDH1A1 (0.36) PDE7AIDH1AXLMERTKFADS1
SCHEMBL2558405 0.87 FADS1 (0.40) PDE7AFADS1
SCHEMBL2565960 0.87 IDH1 (0.34) IDH1TNK2AXLMERTKUGCG
SCHEMBL2567364 0.83 PDE7A (0.41) PDE7AFADS1LMNATP53
SCHEMBL13257501 0.83 PDE7A (0.40) PDE7ALMNATP53
SCHEMBL2568563 0.83 IDH1 (0.34) IDH1TNK2AXLMERTKUGCG
SCHEMBL2561536 0.80 PDE7A (0.37) PDE7AFADS1TP53
SCHEMBL2568118 0.79 FADS1 (0.43) FADS1
SCHEMBL2564318 0.78 IDH1 (0.33) IDH1TNK2AXLMERTKUGCG
SCHEMBL2564313 0.78 AXL (0.37) IDH1AXLMERTKUGCG

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 PDE7A 2399/4885IDH1 4476/4885TNK2 1556/4885

“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.