SCHEMBL869093

SCHEMBL869093

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C#N)c2occ(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 14/20 0.55
EIF2AK2 P19525 1/20 0.36
MAPK1 P28482 1/20 0.36
RIPK1 Q13546 3/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL869492 0.91 EIF2AK3 (0.56) EIF2AK3EIF2AK2MAPK1RIPK1
SCHEMBL14655668 0.90 EIF2AK3 (0.60) EIF2AK3MAPK1RIPK1S1PR1
SCHEMBL869218 0.84 EIF2AK3 (0.72) EIF2AK3EIF2AK2RIPK1
SCHEMBL869246 0.82 EIF2AK3 (0.48) EIF2AK3EIF2AK2RIPK1
SCHEMBL868752 0.80 EIF2AK3 (0.42) EIF2AK3EIF2AK2MAPK1RIPK1
SCHEMBL14655630 0.80 EIF2AK3 (0.61) EIF2AK3EIF2AK2MAPK1
SCHEMBL868773 0.76 EIF2AK3 (0.69) EIF2AK3EIF2AK2MAPK1RIPK1
SCHEMBL868645 0.76 EIF2AK3 (0.74) EIF2AK3EIF2AK2RIPK1
SCHEMBL867820 0.75 BRD4 (0.39) EIF2AK3MAPK1
SCHEMBL869571 0.75 BRD4 (0.39) EIF2AK3

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-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
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP 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
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO 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 16/4885EIF2AK2 174/4885MAPK1 5/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK2 174/4885MAPK1 5/4885

“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.