SCHEMBL868773

SCHEMBL868773

Cc1ncc(N)c2c(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)coc12

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 16/20 0.69
MAPK1 P28482 1/20 0.42
RIPK1 Q13546 1/20 0.42
EIF2AK2 P19525 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL15940299 0.89 EIF2AK3 (0.67) EIF2AK3MAPK1RIPK1EIF2AK2
SCHEMBL868645 0.88 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK2
SCHEMBL869888 0.84 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK2
SCHEMBL869091 0.84 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK2
SCHEMBL868994 0.84 EIF2AK3 (0.73) EIF2AK3RIPK1EIF2AK2
SCHEMBL869218 0.83 EIF2AK3 (0.72) EIF2AK3RIPK1EIF2AK2
SCHEMBL869039 0.82 EIF2AK3 (0.68) EIF2AK3RIPK1EIF2AK2
SCHEMBL30361395 0.82 EIF2AK3 (1.00) EIF2AK3RIPK1EIF2AK2
SCHEMBL869562 0.82 EIF2AK3 (1.00) EIF2AK3MAPK1RIPK1
SCHEMBL869204 0.82 EIF2AK3 (1.00) EIF2AK3RIPK1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885MAPK1 5/4885RIPK1 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.