SCHEMBL3089235

SCHEMBL3089235

O=C(NCCO)C1CCN(c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
PIK3CA P42336 12/20 0.43
PIK3CG P48736 6/20 0.42
PIK3CB P42338 6/20 0.42
MTOR P42345 4/20 0.42
PIK3CD O00329 4/20 0.42
PIK3R1 P27986 1/20 0.42
PRKDC P78527 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3074191 0.91 PIK3CA (0.43) HCAR2PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL3093319 0.91 PIK3CA (0.48) HCAR2PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL3084019 0.89 PIK3CA (0.47) HCAR2PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL3072252 0.87 PIK3CG (0.48) HCAR2PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13146534 0.87 PIK3CA (0.44) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3095390 0.86 RXFP1 (0.48) HCAR2PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL3092090 0.85 PIK3CA (0.47) HCAR2PIK3CAPIK3CGPIK3CBMTOR
SCHEMBL13146530 0.82 PIK3CG (0.49) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3080010 0.82 PIK3CG (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL3092295 0.82 PIK3CG (0.45) HCAR2PIK3CAPIK3CGPIK3CBMTOR

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 3 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-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

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 HCAR2 4209/4885PIK3CA 8/4885PIK3CG 3/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG HCAR2 4209/4885PIK3CA 8/4885PIK3CG 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.