SCHEMBL869060

SCHEMBL869060

CC(C)(C)OC(=O)N1CCc2cc(-c3coc4c(I)cnc(N)c34)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 12/20 0.43
BRD4 O60885 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RIPK1 Q13546 4/20 0.39
EIF2AK1 Q9BQI3 4/20 0.38
EIF2AK2 P19525 3/20 0.38
LCK P06239 2/20 0.38
AURKB Q96GD4 2/20 0.38
MAPK13 O15264 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38

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
SCHEMBL869571 0.87 BRD4 (0.39) EIF2AK3BRD4NPC1CYP1A2CYP3A4
SCHEMBL2373042 0.86 EIF2AK3 (0.43) EIF2AK3NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL870192 0.83 EIF2AK3 (0.61) EIF2AK3BRD4NPC1CYP1A2CYP3A4
SCHEMBL869091 0.77 EIF2AK3 (0.74) EIF2AK3RIPK1EIF2AK1EIF2AK2LCK
SCHEMBL868758 0.77 BRD4 (0.39) EIF2AK3BRD4NPC1CYP1A2CYP3A4
SCHEMBL867820 0.77 BRD4 (0.39) EIF2AK3BRD4NPC1CYP1A2CYP3A4
SCHEMBL869335 0.74 EIF2AK3 (0.66) EIF2AK3BRD4NPC1CYP1A2CYP3A4
SCHEMBL3533819 0.73 MAP4K4 (0.46) RIPK1LCKAURKBMAPK13NTRK1
SCHEMBL14033124 0.73 EIF2AK3 (0.70) EIF2AK3CYP3A4EIF2AK1EIF2AK2LCK
SCHEMBL869492 0.73 EIF2AK3 (0.56) EIF2AK3RIPK1EIF2AK1EIF2AK2LCK

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 16/4885BRD4 1064/4885NPC1 564/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885BRD4 1064/4885NPC1 564/4885

“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.