SCHEMBL869335

SCHEMBL869335

CC(C)(C)OC(=O)N1CCc2cc(-c3csc4ccnc(N)c34)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 8/20 0.66
EIF2AK1 Q9BQI3 3/20 0.66
AURKB Q96GD4 3/20 0.46
LCK P06239 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EIF2AK2 P19525 1/20 0.45
KDR P35968 9/20 0.44
AURKA O14965 2/20 0.44
EPHB4 P54760 1/20 0.44
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
RPS6KA4 O75676 1/20 0.42

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
SCHEMBL2375097 0.85 EIF2AK3 (0.65) EIF2AK3EIF2AK1AURKBLCKNPC1
SCHEMBL870192 0.82 EIF2AK3 (0.61) EIF2AK3EIF2AK1NPC1CYP1A2CYP3A4
SCHEMBL14033124 0.81 EIF2AK3 (0.70) EIF2AK3EIF2AK1AURKBLCKCYP3A4
SCHEMBL868900 0.79 EIF2AK3 (1.00) EIF2AK3EIF2AK1AURKBLCKEIF2AK2
SCHEMBL3534672 0.79 LCK (0.59) EIF2AK3EIF2AK1AURKBLCKNPC1
SCHEMBL3534670 0.79 LCK (0.59) EIF2AK3EIF2AK1AURKBLCKNPC1
SCHEMBL869352 0.78 EIF2AK3 (0.75) EIF2AK3EIF2AK1AURKBLCKEIF2AK2
SCHEMBL869024 0.78 EIF2AK3 (0.79) EIF2AK3EIF2AK1AURKBLCKEIF2AK2
SCHEMBL869729 0.77 EIF2AK3 (0.80) EIF2AK3EIF2AK1AURKBLCKEIF2AK2
SCHEMBL15694272 0.77 RAB9A (0.75) NPC1CYP1A2CYP3A4MAPTCYP2C9

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 20/4885AURKB 2752/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R EIF2AK3 16/4885EIF2AK1 20/4885AURKB 2752/4885

“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.