SCHEMBL2804499

SCHEMBL2804499

CCOC(=O)c1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.64
CHEK2 O96017 6/20 0.64
SIRT2 Q8IXJ6 6/20 0.62
SIRT1 Q96EB6 5/20 0.62
SIRT3 Q9NTG7 2/20 0.62
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60

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
SCHEMBL2313477 0.88 SCD (0.59) SCDCHEK2
SCHEMBL2321478 0.87 CHEK2 (0.72) SCDCHEK2
SCHEMBL2802771 0.86 SIRT2 (0.71) SCDCHEK2SIRT2SIRT1SIRT3
SCHEMBL2807193 0.85 CHEK2 (0.73) CHEK2SIRT2SIRT1SIRT3PKN1
SCHEMBL2321480 0.81 CHEK2 (0.62) SCDCHEK2
SCHEMBL2357098 0.78 CHEK2 (0.74) CHEK2SIRT2SIRT1SIRT3PKN1
SCHEMBL6640036 0.78 CHEK2 (1.00) CHEK2
SCHEMBL19994531 0.77 SIRT2 (0.79) CHEK2SIRT2SIRT1SIRT3PKN1
SCHEMBL2321367 0.76 SCD (0.56) SCDCHEK2
SCHEMBL2803574 0.76 SCD (0.54) SCDCHEK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF CYP3A43, CYP11B1, CYP11B2 SCD 3183/4885CHEK2 3959/4885SIRT2 2363/4885

“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.