Sugi Predict

Sugi Predict / Compounds / SCHEMBL259098

SCHEMBL259098

SCHEMBL259098

O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.72
▸ PIK3C2B O00750 2/20 0.72
▸ PIK3CB P42338 2/20 0.72
▸ PIK3CG P48736 2/20 0.72
▸ PIK3R1 P27986 2/20 0.72
▸ MTOR P42345 2/20 0.72
▸ PIK3CD O00329 1/20 0.72
▸ PIK3C2A O00443 1/20 0.72
▸ CHUK O15111 1/20 0.72
▸ DAPK3 O43293 1/20 0.72
▸ PIK3C2G O75747 1/20 0.72
▸ RAF1 P04049 1/20 0.72
▸ BRAF P15056 1/20 0.72
▸ CSNK2A2 P19784 1/20 0.72
▸ JAK1 P23458 1/20 0.72
▸ TYK2 P29597 1/20 0.72
▸ FLT3 P36888 1/20 0.72
▸ CLK1 P49759 1/20 0.72
▸ CLK2 P49760 1/20 0.72
▸ CLK3 P49761 1/20 0.72

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
SCHEMBL259272 0.90 PIK3CA (0.74) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL30387212 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL12922264 0.84 PIK3CA (0.79) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL29352781 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL10112597 0.84 PIK3CA (0.79) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL31038234 0.84 PIK3CA (0.98) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL10122925 0.84 PIK3CA (0.79) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL29676244 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL258242 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL29929906 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 — — US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 — — US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 — — US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 — — 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885PIK3CB 8/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885PIK3CB 8/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3C2B 5/4885PIK3CB 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.