SCHEMBL3097076

SCHEMBL3097076

CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cncc(S(N)(=O)=O)c4)cc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
PIK3CB P42338 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 2/20 0.47
MAP4K4 O95819 1/20 0.46
PIK3CA P42336 2/20 0.44
PGK1 P00558 1/20 0.44
CHRNA7 P36544 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
GBA1 P04062 1/20 0.42
LRRK2 Q5S007 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL3079106 0.88 PIK3CB (0.58) CKS1BSKP1SKP2PIK3CBMTOR
SCHEMBL3632949 0.86 PIK3CB (0.46) PIK3CBMTORPIK3CGPIK3CAGPR119
SCHEMBL3096852 0.85 PIK3CB (0.49) PIK3CBMTORPIK3CGMAP4K4PIK3CA
SCHEMBL13146409 0.84 RET (0.44) CKS1BSKP1SKP2PIK3CBMTOR
SCHEMBL3078390 0.83 CKS1B (0.51) CKS1BSKP1SKP2PIK3CBMTOR
SCHEMBL3073238 0.81 PIK3CB (0.44) PIK3CBMTORPIK3CGPIK3CALRRK2
SCHEMBL3078498 0.81 PIK3CA (0.53) PIK3CBMTORPIK3CGPIK3CACHRNA7
SCHEMBL3092858 0.80 TP53 (0.47) PIK3CBMTORPIK3CGPIK3CACA2
SCHEMBL3090881 0.80 CA12 (0.48) PIK3CBMTORPIK3CGPIK3CACA12
SCHEMBL3083576 0.80 NPC1 (0.53) PIK3CBMTORPIK3CGPIK3CACA12

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 12 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
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
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-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US 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
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 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
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 CKS1B 1324/4885SKP1 1373/4885SKP2 1026/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG CKS1B 1324/4885SKP1 1373/4885SKP2 1026/4885

“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.