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
SCHEMBL31038234 0.84 PIK3CA (0.98) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL10122925 0.84 PIK3CA (0.79) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL30387212 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL29676244 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL258242 0.84 PIK3CA (1.00) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL12922264 0.84 PIK3CA (0.79) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
SCHEMBL10112597 0.84 PIK3CA (0.79) PIK3CAPIK3C2BPIK3CBPIK3CGPIK3R1
Pi-103 SCHEMBL29352781 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.

Send feedback