Sugi Predict

Sugi Predict / Compounds / SCHEMBL13146409

SCHEMBL13146409

SCHEMBL13146409

CC(C)(C)OC(=O)NCCN1CCN(c2cnc3ccc(-c4cncc(S(N)(=O)=O)c4)cc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.44
▸ DRD2 P14416 6/20 0.42
▸ PIK3CG P48736 4/20 0.41
▸ PIK3CB P42338 3/20 0.41
▸ MTOR P42345 3/20 0.41
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA12 O43570 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL3097076 0.84 CKS1B (0.49) RETPIK3CGPIK3CBMTORCA1
SCHEMBL3097160 0.83 PIK3CB (0.42) PIK3CGPIK3CBMTORCA1CA2
SCHEMBL3087779 0.81 PIK3CB (0.40) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3085584 0.80 PIK3CB (0.48) PIK3CGPIK3CBMTORCA1CA2
SCHEMBL3630298 0.80 PIK3CB (0.44) PIK3CGPIK3CBMTORCA1CA2
SCHEMBL3079106 0.79 PIK3CB (0.58) PIK3CGPIK3CBMTORCKS1BSKP1
SCHEMBL13146267 0.79 CKS1B (0.51) PIK3CGCA1CA2CA12CA9
SCHEMBL3073238 0.76 PIK3CB (0.44) PIK3CGPIK3CBMTORPIK3CDPIK3CA
SCHEMBL3096852 0.76 PIK3CB (0.49) RETPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3632949 0.76 PIK3CB (0.46) RETPIK3CGPIK3CBMTORCA1

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 7 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-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
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 RET 1774/4885DRD2 2116/4885PIK3CG 3/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG RET 1774/4885DRD2 2116/4885PIK3CG 3/4885

“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.