SCHEMBL870034

SCHEMBL870034

Nc1nccc2occ(-c3ccc4c(c3F)CCN4)c12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.35
KDR P35968 1/20 0.34
NOTUM Q6P988 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL869366 0.82 PARP1 (0.36) NOTUMBCHEACHE
SCHEMBL868249 0.75 EIF2AK3 (0.46) EIF2AK3KDR
Hydrochloric Acid SCHEMBL869114 0.74 EIF2AK3 (0.45) EIF2AK3KDR
SCHEMBL869108 0.69 EIF2AK3 (0.49) EIF2AK3
SCHEMBL29911812 0.69 EIF2AK3 (0.49) EIF2AK3
Hydrochloric Acid SCHEMBL23042914 0.68 EIF2AK3 (0.48) EIF2AK3
Hydrochloric Acid SCHEMBL868686 0.68 EIF2AK3 (0.48) EIF2AK3
SCHEMBL24651194 0.67 SRC (0.53)
SCHEMBL24651185 0.67 EIF2AK3 (0.36) EIF2AK3
SCHEMBL24650622 0.67 KDR (0.49) EIF2AK3KDR

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 16/4885KDR 3297/4885NOTUM 2790/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885KDR 3297/4885NOTUM 2790/4885

“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.