SCHEMBL16908138

SCHEMBL16908138

Nc1ccc(-c2nc(O)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.82
MTOR P42345 16/20 0.82
PIK3R1 P27986 11/20 0.82
PIK3CD O00329 1/20 0.54
PIK3CG P48736 1/20 0.54
PARP1 P09874 1/20 0.52
RICTOR Q6R327 4/20 0.51
RPTOR Q8N122 4/20 0.51
MAPKAP1 Q9BPZ7 4/20 0.51
MLST8 Q9BVC4 4/20 0.51

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
SCHEMBL1309506 0.91 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL15386446 0.84 PIK3CA (0.77) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL18193210 0.84 PIK3CA (0.85) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL29434910 0.84 PIK3CA (0.85) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL18771918 0.81 PIK3CA (0.77) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL2438086 0.81 PIK3CA (0.79) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL1309220 0.80 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL910089 0.79 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL10328141 0.79 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CDRICTOR
SCHEMBL7999965 0.78 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630958-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2017-04-25 US disclosed
US-20150197515-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2015-07-16 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 (1 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-20150197515-A1 NOVEL TRIAZINE COMPOUNDS MTOR, PIK3R5, PIK3R2 PIK3CA 23/4885MTOR 1/4885PIK3R1 4/4885

“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.