SCHEMBL868848

SCHEMBL868848

Nc1ncnc2c1c(-c1ccc3c(c1)CCN3C(=O)Cc1cc(F)ccc1F)cn2CCC1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 15/20 0.72
EIF2AK2 P19525 2/20 0.55
RIPK1 Q13546 4/20 0.55
MAPK13 O15264 1/20 0.54
ABL1 P00519 1/20 0.54
NTRK1 P04629 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
YES1 P07947 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
MET P08581 1/20 0.54
HCK P08631 1/20 0.54
FGR P09769 1/20 0.54
KIT P10721 1/20 0.54
FGFR1 P11362 1/20 0.54
SRC P12931 1/20 0.54
FLT1 P17948 1/20 0.54
EPHA2 P29317 1/20 0.54
EPHA8 P29322 1/20 0.54

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
SCHEMBL869781 0.88 EIF2AK3 (0.68) EIF2AK3EIF2AK2RIPK1MAPK13ABL1
SCHEMBL868766 0.88 EIF2AK3 (0.74) EIF2AK3EIF2AK2RIPK1NTRK1LCK
SCHEMBL2374671 0.86 EIF2AK3 (0.66) EIF2AK3EIF2AK2RIPK1MAPK13ABL1
SCHEMBL869000 0.85 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL869974 0.85 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868429 0.85 EIF2AK3 (0.76) EIF2AK3EIF2AK2RIPK1EIF2AK1
SCHEMBL868935 0.85 RIPK1 (0.75) EIF2AK3EIF2AK2RIPK1MAPK13ABL1
SCHEMBL868634 0.84 EIF2AK3 (1.00) EIF2AK3EIF2AK2RIPK1NTRK1LCK
SCHEMBL868270 0.83 EIF2AK3 (0.76) EIF2AK3EIF2AK2RIPK1NTRK1LCK
SCHEMBL868471 0.83 EIF2AK3 (0.80) EIF2AK3EIF2AK2RIPK1EIF2AK1

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
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN 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
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
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN 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 16/4885EIF2AK2 174/4885RIPK1 218/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK2 174/4885RIPK1 218/4885

“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.