SCHEMBL12499236

SCHEMBL12499236

CSCCC(Nc1nc(-c2cccc(O)c2)nc(N2CCOCC2)n1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.64
PIK3R1 P27986 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.45
TPH1 P17752 1/20 0.44

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
SCHEMBL12498477 0.85 PIK3CA (0.68) PIK3CAPIK3R1MTORKMT2ATPH1
SCHEMBL12498959 0.84 PIK3CA (0.69) PIK3CAPIK3R1MTORKMT2ATPH1
SCHEMBL12498761 0.83 PIK3CA (0.67) PIK3CAPIK3R1MTORKMT2A
SCHEMBL12499185 0.80 PIK3CA (0.68) PIK3CAPIK3R1MTORKMT2ATPH1
SCHEMBL12498708 0.78 PIK3CA (1.00) PIK3CAPIK3R1MTORKMT2ATPH1
SCHEMBL15379154 0.77 PIK3CA (0.69) PIK3CAPIK3R1MTORKMT2A
SCHEMBL1311223 0.76 PIK3CA (0.77) PIK3CAMTORKMT2ATPH1
SCHEMBL15378718 0.76 PIK3CA (1.00) PIK3CAPIK3R1MTORKMT2A
SCHEMBL12499847 0.76 PIK3CA (1.00) PIK3CAPIK3R1MTORKMT2ATPH1
SCHEMBL15378717 0.75 PIK3CA (1.00) PIK3CAPIK3R1MTORKMT2A

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 13/4885PIK3R1 4/4885MTOR 1/4885

“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.