SCHEMBL3090646

SCHEMBL3090646

Cc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4ncc(-c5cnn(C)c5)nc4c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.52
KIT P10721 1/20 0.49
FGFR3 P22607 7/20 0.47
KDR P35968 7/20 0.47
ALPL P05186 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIK3CA P42336 4/20 0.44
FGFR1 P11362 5/20 0.43
FGFR4 P22455 5/20 0.43
FGFR2 P21802 4/20 0.43
POLB P06746 1/20 0.41
MET P08581 1/20 0.41
PIK3CG P48736 2/20 0.41
PIK3CD O00329 1/20 0.41
AKT1 P31749 1/20 0.41
MTOR P42345 1/20 0.41
FLT3 P36888 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
SCHEMBL3091107 0.93 LRRK2 (0.48) PIK3CBKITFGFR3KDRALPL
SCHEMBL3096681 0.92 FGFR3 (0.57) PIK3CBKITFGFR3KDRALPL
SCHEMBL3073351 0.92 PIK3CA (0.54) PIK3CBFGFR3KDRALPLPIK3CA
SCHEMBL3094941 0.92 PIK3CA (0.50) PIK3CBFGFR3KDRPIK3CAFGFR1
SCHEMBL3095673 0.91 FGFR3 (0.56) PIK3CBKITFGFR3KDRALPL
SCHEMBL3093227 0.90 FGFR3 (0.48) PIK3CBFGFR3KDRALPLPIK3CA
SCHEMBL3090021 0.90 PIK3CB (0.54) PIK3CBFGFR3KDRALPLPIK3CA
SCHEMBL3091883 0.90 ALPL (0.46) PIK3CBKITFGFR3KDRALPL
SCHEMBL3084822 0.90 PRF1 (0.47) PIK3CBFGFR3KDRALPLPIK3CA
SCHEMBL3085554 0.89 MAPT (0.46) PIK3CBKITFGFR3KDRALPL

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 PIK3CB 2/4885KIT 388/4885FGFR3 2690/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3CB 2/4885KIT 388/4885FGFR3 2690/4885

“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.