SCHEMBL5046467

SCHEMBL5046467

Oc1ccc(COCCn2ccnn2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
FGFR1 P11362 4/20 0.35
FLT1 P17948 4/20 0.35
FGFR2 P21802 4/20 0.35
FGFR4 P22455 4/20 0.35
FGFR3 P22607 4/20 0.35
FLT4 P35916 4/20 0.35
KDR P35968 4/20 0.35
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
CYP19A1 P11511 6/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
CHRNA7 P36544 1/20 0.32
GBA1 P04062 2/20 0.30
LCT P09848 2/20 0.30
UGCG Q16739 2/20 0.30
GBA2 Q9HCG7 2/20 0.30
MGAM O43451 1/20 0.30
SI P14410 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
SCHEMBL5050508 0.79 DPP4 (0.39) DPP4FGFR1FLT1FGFR2FGFR4
SCHEMBL4592205 0.77 CYP19A1 (0.44) CYP19A1ESR1ESR2
SCHEMBL9834056 0.71 CYP19A1 (0.41) DPP4FGFR1FLT1FGFR2FGFR4
SCHEMBL28686954 0.67 DPP4 (0.38) DPP4FGFR1FLT1FGFR2FGFR4
SCHEMBL10065552 0.67 TSHR (0.39) DPP4CYP19A1
SCHEMBL28761316 0.67 PSEN1 (0.37) DPP4CYP19A1CCR1CCR2CCR4
SCHEMBL4599537 0.67 TYR (0.37) DPP4KDRPDGFRBCYP19A1ESR1
SCHEMBL5046643 0.66 ATP4A (0.52) CYP19A1NPC1
SCHEMBL29447736 0.66 DPP4 (0.37) DPP4FGFR1FLT1FGFR2FGFR4
SCHEMBL10976644 0.65 PDGFRB (0.35) KDRPDGFRBCYP19A1ESR1ESR2

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
US-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP disclosed
CN-1930154-A Ether derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 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-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 DPP4 1749/4885FGFR1 2092/4885FLT1 3782/4885

“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.