SCHEMBL12499391

SCHEMBL12499391

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
CYP3A4 P08684 4/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.59
PIK3CA P42336 8/20 0.51
MTOR P42345 3/20 0.51
PIK3CG P48736 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
PIK3C2B O00750 2/20 0.47
CYP2D6 P10635 2/20 0.47
USP2 O75604 1/20 0.46
HIF1A Q16665 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TPH1 P17752 1/20 0.45

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
SCHEMBL18193245 0.91 CYP1A2 (0.59) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL18193151 0.88 PIK3CA (0.55) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL12498959 0.85 PIK3CA (0.69) PIK3CAMTORKMT2ATPH1
SCHEMBL12499329 0.85 PIK3CA (0.72) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL15386541 0.78 PIK3CA (0.53) LMNAPIK3CAMTORPIK3CGMEN1
SCHEMBL15386532 0.76 PIK3CA (0.54) LMNAPIK3CAMTORPIK3CGMEN1
SCHEMBL12498761 0.76 PIK3CA (0.67) PIK3CAMTORKMT2A
SCHEMBL12499401 0.76 PIK3CA (0.68) PIK3CAMTORPIK3CG
SCHEMBL1311325 0.72 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3C2B
SCHEMBL12499669 0.72 PIK3CA (0.78) LMNATSHRPIK3CAMTORPIK3CG

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 5 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-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 CYP1A2 2634/4885CYP3A4 3535/4885LMNA 3909/4885

“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.