SCHEMBL869010

SCHEMBL869010

NCCc1cnc(N)c2c(-c3ccc4c(c3F)CCN4C(=O)Cc3cc(F)ccc3F)coc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 14/20 0.54
CYP3A4 P08684 5/20 0.41
EIF2AK2 P19525 3/20 0.41
EIF2AK1 Q9BQI3 3/20 0.41
CYP2C9 P11712 2/20 0.41
RIPK1 Q13546 2/20 0.41
EIF2AK4 Q9P2K8 2/20 0.41
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
AKT1 P31749 4/20 0.37
MAPK1 P28482 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 1/20 0.33

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
SCHEMBL868612 0.90 EIF2AK3 (0.54) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL868994 0.86 EIF2AK3 (0.73) EIF2AK3EIF2AK2EIF2AK1RIPK1
SCHEMBL868864 0.84 EIF2AK3 (0.74) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL869333 0.84 EIF2AK3 (0.51) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL869039 0.79 EIF2AK3 (0.68) EIF2AK3EIF2AK2RIPK1
SCHEMBL14655695 0.78 EIF2AK3 (0.45) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL14576841 0.78 EIF2AK3 (0.67) EIF2AK3EIF2AK2EIF2AK1RIPK1
SCHEMBL13860336 0.78 EIF2AK3 (0.67) EIF2AK3EIF2AK2EIF2AK1RIPK1
SCHEMBL869218 0.76 EIF2AK3 (0.72) EIF2AK3EIF2AK2EIF2AK1RIPK1
SCHEMBL869091 0.76 EIF2AK3 (0.74) EIF2AK3EIF2AK2EIF2AK1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP claimed
US-20140227289-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-14 US claimed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US claimed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP claimed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US claimed
WO-2012158123-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-22 WO claimed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO claimed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-20140227289-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-14 US 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-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
WO-2012158123-A1 COMPOUNDS AND METHODS FOR TREATING INSULIN RESISTANCE SYNDROME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-22 WO disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 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
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 16/4885CYP3A4 1750/4885EIF2AK2 174/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885CYP3A4 1750/4885EIF2AK2 174/4885

“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.