SCHEMBL868669

SCHEMBL868669

Nc1nccc2occ(-c3ccc4c(c3)CCN4C(=O)O)c12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 18/20 0.68
EIF2AK1 Q9BQI3 2/20 0.51
KDR P35968 1/20 0.46
LCK P06239 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL27975489 0.91 EIF2AK3 (0.67) EIF2AK3EIF2AK1KDRCYP11B1CYP11B2
SCHEMBL870192 0.86 EIF2AK3 (0.61) EIF2AK3EIF2AK1KDRCYP11B1CYP11B2
SCHEMBL2373601 0.83 EIF2AK3 (0.61) EIF2AK3EIF2AK1KDR
SCHEMBL869562 0.81 EIF2AK3 (1.00) EIF2AK3EIF2AK1
SCHEMBL868264 0.81 EIF2AK3 (0.69) EIF2AK3EIF2AK1LCKAURKB
SCHEMBL868562 0.80 EIF2AK3 (0.72) EIF2AK3EIF2AK1LCKAURKB
SCHEMBL868852 0.80 EIF2AK3 (0.75) EIF2AK3EIF2AK1LCKAURKB
SCHEMBL869570 0.80 EIF2AK3 (0.85) EIF2AK3EIF2AK1
SCHEMBL868870 0.74 EIF2AK3 (0.67) EIF2AK3KDRLCKAURKBCYP11B1
SCHEMBL17749182 0.70 RIPK1 (0.64) EIF2AK3EIF2AK1KDRLCK

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 16/4885EIF2AK1 20/4885KDR 3297/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK1 20/4885KDR 3297/4885

“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.