SCHEMBL868752

SCHEMBL868752

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(I)c2occ(-c3ccc4c(c3F)CCN4C(=O)Cc3cc(F)ccc3F)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 12/20 0.42
AKT1 P31749 3/20 0.34
CYP3A4 P08684 4/20 0.33
EIF2AK2 P19525 3/20 0.33
EIF2AK1 Q9BQI3 3/20 0.33
CYP2C9 P11712 2/20 0.33
RIPK1 Q13546 2/20 0.33
EIF2AK4 Q9P2K8 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.32
HTR2C P28335 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2A P28223 1/20 0.32
CDK9 P50750 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL14655695 0.90 EIF2AK3 (0.45) EIF2AK3AKT1CYP3A4EIF2AK2EIF2AK1
SCHEMBL869492 0.88 EIF2AK3 (0.56) EIF2AK3EIF2AK2EIF2AK1RIPK1MAPK1
SCHEMBL868937 0.86 CDK9 (0.31) CDK9
SCHEMBL14655508 0.86 CDK9 (0.31) CDK9
SCHEMBL868612 0.84 EIF2AK3 (0.54) EIF2AK3AKT1CYP3A4EIF2AK2EIF2AK1
SCHEMBL868938 0.83
SCHEMBL869093 0.80 EIF2AK3 (0.55) EIF2AK3EIF2AK2RIPK1MAPK1
SCHEMBL868939 0.80
SCHEMBL869333 0.78 EIF2AK3 (0.51) EIF2AK3AKT1CYP3A4EIF2AK2EIF2AK1
SCHEMBL14655630 0.77 EIF2AK3 (0.61) EIF2AK3AKT1CYP3A4EIF2AK2EIF2AK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885AKT1 161/4885CYP3A4 1750/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885AKT1 161/4885CYP3A4 1750/4885

“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.