Sugi Predict

Sugi Predict / Compounds / SCHEMBL3091883

SCHEMBL3091883

SCHEMBL3091883

Cn1cc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(C(F)(F)F)cc5)c4)cc3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ FGFR3 P22607 6/20 0.45
▸ KDR P35968 6/20 0.45
▸ PIK3CB P42338 2/20 0.42
▸ MET P08581 2/20 0.42
▸ FGFR1 P11362 4/20 0.41
▸ FGFR4 P22455 4/20 0.41
▸ FGFR2 P21802 3/20 0.41
▸ KIT P10721 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ YES1 P07947 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PRF1 P14222 2/20 0.40
▸ ERAP1 Q9NZ08 1/20 0.39
▸ HSPD1 P10809 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL3091870 0.91 PIK3CB (0.55) ALPLFGFR3KDRPIK3CBMET
SCHEMBL3073351 0.91 PIK3CA (0.54) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3090646 0.90 PIK3CB (0.52) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3091107 0.90 LRRK2 (0.48) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3096681 0.89 FGFR3 (0.57) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3094941 0.89 PIK3CA (0.50) PIK3CAFGFR3KDRPIK3CBFGFR1
SCHEMBL3091755 0.89 PRF1 (0.51) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3095673 0.88 FGFR3 (0.56) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3079491 0.88 ALPL (0.46) ALPLPIK3CAFGFR3KDRPIK3CB
SCHEMBL3093227 0.87 FGFR3 (0.48) ALPLPIK3CAFGFR3KDRPIK3CB

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 ALPL 3010/4885PIK3CA 8/4885FGFR3 2690/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG ALPL 3010/4885PIK3CA 8/4885FGFR3 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.