Sugi Predict

Sugi Predict / Compounds / SCHEMBL3082879

SCHEMBL3082879

SCHEMBL3082879

CN1CCN(c2cnc3ccc(-c4cnc(N)c(S(=O)(=O)N(C)C)c4)cc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ PIK3CA P42336 7/20 0.42
▸ PIK3CB P42338 5/20 0.42
▸ MTOR P42345 5/20 0.42
▸ PIK3CG P48736 5/20 0.42
▸ PIK3CD O00329 4/20 0.42
▸ PIK3C3 Q8NEB9 2/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ FYN P06241 1/20 0.38
▸ MET P08581 4/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ MAP4K4 O95819 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
SCHEMBL3087556 0.89 PIK3CA (0.51) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL13146261 0.80 PIK3C3 (0.44) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL732228 0.80 PIK3CA (0.52) PIK3CAPIK3C3FYN
SCHEMBL14021874 0.78 HRH4 (0.46) HRH4HTR3APIK3CAPIK3CBMTOR
SCHEMBL3085877 0.78 HRH4 (0.57) HRH4HTR3APIK3CAPIK3CBMTOR
SCHEMBL3093528 0.77 PIK3C3 (0.45) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL3079624 0.76 HRH4 (0.54) HRH4HTR3APIK3CAPIK3CBMTOR
SCHEMBL3074529 0.76 PIK3CA (0.47) PIK3CAPIK3C3
SCHEMBL3094228 0.76 HRH4 (0.49) HRH4HTR3APIK3CAPIK3CBMTOR
SCHEMBL3087757 0.74 PIK3CA (0.56) PIK3CAPIK3CBMTORPIK3CGPIK3CD

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 9 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
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

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 HRH4 873/4885HTR3A 787/4885PIK3CA 8/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HRH4 873/4885HTR3A 787/4885PIK3CA 8/4885

“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.