SCHEMBL12499356

SCHEMBL12499356

O=C(O)CNc1nc(-c2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.82
HTT P42858 2/20 0.57
MTOR P42345 6/20 0.57
PIK3CG P48736 6/20 0.57
TPH1 P17752 1/20 0.56
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL18193254 0.90 PIK3CA (0.81) PIK3CAHTTMTORPIK3CGTPH1
SCHEMBL12498708 0.90 PIK3CA (1.00) PIK3CAHTTMTORTPH1
SCHEMBL15386542 0.89 PIK3CA (0.80) PIK3CAHTTMTORPIK3CGTPH1
SCHEMBL12499065 0.89 PIK3CA (0.80) PIK3CAHTTMTORPIK3CGTPH1
SCHEMBL12499669 0.88 PIK3CA (0.78) PIK3CAHTTMTORPIK3CGTPH1
SCHEMBL18660592 0.87 PIK3CA (0.64) PIK3CAHTTMTORPIK3CGTPH1
SCHEMBL18193242 0.87 PIK3CA (0.75) PIK3CAHTTMTORPIK3CGTPH1
SCHEMBL12499370 0.87 PIK3CA (0.75) PIK3CAHTTMTORTPH1
SCHEMBL12498649 0.86 PIK3CA (0.74) PIK3CAMTORTPH1LMNAALDH1A1
SCHEMBL12498567 0.86 PIK3CA (0.68) PIK3CAHTTMTORPIK3CGTPH1

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-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
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO 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 13/4885HTT 1747/4885MTOR 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.