SCHEMBL869038

SCHEMBL869038

N#Cc1cccc(CC(=O)N2CCc3cc(-c4csc5ccnc(N)c45)ccc32)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 14/20 0.80
EIF2AK1 Q9BQI3 5/20 0.80
RIPK1 Q13546 6/20 0.61
LCK P06239 2/20 0.57
AURKB Q96GD4 2/20 0.57
EIF2AK2 P19525 3/20 0.54
KDR P35968 1/20 0.53
NTRK1 P04629 1/20 0.49
CYP1A2 P05177 1/20 0.49
YES1 P07947 1/20 0.49
RET P07949 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
KIT P10721 1/20 0.49
CYP2C9 P11712 1/20 0.49
AXL P30530 1/20 0.49
CYP2C19 P33261 1/20 0.49
NEK4 P51957 1/20 0.49
MAP3K9 P80192 1/20 0.49

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
SCHEMBL870161 0.90 EIF2AK3 (0.84) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL868900 0.89 EIF2AK3 (1.00) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL30301904 0.89 EIF2AK3 (1.00) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL869349 0.87 EIF2AK3 (0.79) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL869024 0.87 EIF2AK3 (0.79) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL869381 0.86 EIF2AK3 (0.84) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL869729 0.82 EIF2AK3 (0.80) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL867757 0.82 EIF2AK3 (0.78) EIF2AK3EIF2AK1LCKAURKBEIF2AK2
SCHEMBL869382 0.82 EIF2AK3 (0.76) EIF2AK3EIF2AK1RIPK1LCKAURKB
SCHEMBL868186 0.80 EIF2AK3 (0.76) EIF2AK3EIF2AK1RIPK1LCKAURKB

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 16/4885EIF2AK1 20/4885RIPK1 218/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK1 20/4885RIPK1 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.