SCHEMBL12499494

SCHEMBL12499494

CS(=O)(=O)N1CCN(C(=O)CNc2nc(-c3ccc(N)cc3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.56
MTOR P42345 11/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL12499215 0.87 PIK3CA (0.55) PIK3CAMTORPIK3R1
SCHEMBL12499426 0.86 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL12499830 0.85 PIK3CA (0.77) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL12498527 0.83 PIK3CA (0.62) PIK3CAMTORPIK3CG
SCHEMBL15378682 0.80 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL12499356 0.73 PIK3CA (0.82) PIK3CAMTORPIK3CG
SCHEMBL18660588 0.73 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL1409540 0.71 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL1309097 0.71 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL12499631 0.71 PIK3CA (0.73) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US claimed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US claimed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO claimed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 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-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 PIK3CA 13/4885MTOR 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.