SCHEMBL869628

SCHEMBL869628

CC(C)(C)OC(=O)N1CCc2c1ccc(-c1coc3ccnc(N)c13)c2F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 4/20 0.44
CYP3A4 P08684 3/20 0.41
EIF2AK2 P19525 3/20 0.41
EIF2AK1 Q9BQI3 3/20 0.41
CYP2C9 P11712 2/20 0.41
RIPK1 Q13546 2/20 0.41
EIF2AK4 Q9P2K8 2/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
GPR119 Q8TDV5 5/20 0.39
UCHL1 P09936 4/20 0.38
MPO P05164 1/20 0.34
CDK9 P50750 1/20 0.33
KDR P35968 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CHRNA7 P36544 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2374288 0.85 EIF2AK3 (0.45) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL870192 0.81 EIF2AK3 (0.61) EIF2AK3CYP3A4EIF2AK1CYP2C9RIPK1
SCHEMBL868864 0.77 EIF2AK3 (0.74) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL868916 0.77 EIF2AK3 (0.64) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL6700286 0.76 UCHL1 (0.46) GPR119UCHL1MPOADORA1CHRNA7
SCHEMBL24651057 0.75 EIF2AK3 (0.51) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL24651195 0.74 SRC (0.53) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL24651196 0.74 RIPK1 (0.54) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL24651206 0.74 EIF2AK2 (0.52) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9
SCHEMBL24651161 0.72 ABL1 (0.52) EIF2AK3CYP3A4EIF2AK2EIF2AK1CYP2C9

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 16/4885CYP3A4 1750/4885EIF2AK2 174/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885CYP3A4 1750/4885EIF2AK2 174/4885

“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.