SCHEMBL259272

SCHEMBL259272

O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.74
PIK3R1 P27986 2/20 0.74
MTOR P42345 2/20 0.74
PIK3CB P42338 4/20 0.65
PIK3CG P48736 4/20 0.65
PIK3CD O00329 3/20 0.65
PIK3C2B O00750 2/20 0.65
PIK3C2A O00443 1/20 0.65
CHUK O15111 1/20 0.65
DAPK3 O43293 1/20 0.65
PIK3C2G O75747 1/20 0.65
RAF1 P04049 1/20 0.65
BRAF P15056 1/20 0.65
CSNK2A2 P19784 1/20 0.65
JAK1 P23458 1/20 0.65
TYK2 P29597 1/20 0.65
FLT3 P36888 1/20 0.65
CLK1 P49759 1/20 0.65
CLK2 P49760 1/20 0.65
CLK3 P49761 1/20 0.65

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
SCHEMBL259098 0.90 PIK3CA (0.72) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL10092297 0.86 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL258277 0.85 PIK3CA (0.82) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL13976099 0.85 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL30538318 0.85 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL7878945 0.84 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL29370622 0.84 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL10092298 0.82 PIK3CA (0.81) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL1310000 0.81 PIK3CA (0.82) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL1308641 0.80 PIK3CA (0.74) PIK3CAPIK3R1MTORPIK3CBPIK3CG

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 8 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-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 7/4885PIK3R1 4/4885MTOR 27/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3R1 4/4885MTOR 27/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PIK3CA 7/4885PIK3R1 4/4885MTOR 27/4885

“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.