SCHEMBL3085473

SCHEMBL3085473

CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(Br)cc3n2)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.42
MAP4K4 O95819 1/20 0.42
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
NR1H2 P55055 2/20 0.38
USP30 Q70CQ3 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
ESR2 Q92731 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ENPP2 Q13822 2/20 0.35
MAPT P10636 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35

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
SCHEMBL3633859 0.84 SCN9A (0.40) NPC1RAB9A
SCHEMBL15141123 0.84 CKS1B (0.57) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL15205695 0.82 MAP4K4 (0.42) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL904194 0.81 NR1H2 (0.42) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL29780535 0.78 BACE1 (0.38) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL20304831 0.78 BACE1 (0.38) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL29653733 0.78 CKS1B (0.48) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL14894490 0.78 LMNA (0.43) BACE1NR1H2USP30PDE4BPDE7A
SCHEMBL24754168 0.77 CYP11B2 (0.48) BACE1MAP4K4CKS1BSKP1SKP2
SCHEMBL1206883 0.76 ALDH1A1 (0.47) NR1H2MKNK1ESR2ENPP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG BACE1 3949/4885MAP4K4 426/4885CKS1B 1324/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG BACE1 3949/4885MAP4K4 426/4885CKS1B 1324/4885

“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.