SCHEMBL12499370

SCHEMBL12499370

COc1cccc(-c2nc(NCC(=O)O)nc(N3CCOCC3)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.75
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 1/20 0.51
CYP2D6 P10635 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TPH1 P17752 1/20 0.49
MTOR P42345 1/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 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
SCHEMBL15386542 0.87 PIK3CA (0.80) PIK3CATSHRTPH1MTORMAPT
SCHEMBL12499356 0.87 PIK3CA (0.82) PIK3CATPH1MTORHTT
SCHEMBL18193254 0.86 PIK3CA (0.81) PIK3CATPH1MTORHTT
SCHEMBL12498708 0.86 PIK3CA (1.00) PIK3CATPH1MTORHTTPIK3R1
SCHEMBL12499065 0.85 PIK3CA (0.80) PIK3CAHSD17B10TPH1MTORHTT
SCHEMBL12498527 0.84 PIK3CA (0.62) PIK3CACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL12499669 0.84 PIK3CA (0.78) PIK3CATSHRTPH1MTORHTT
SCHEMBL12499554 0.83 PIK3CA (0.57) PIK3CATPH1MTORMAPTHTT
SCHEMBL18193242 0.83 PIK3CA (0.75) PIK3CAHSD17B10MAPK1TPH1MTOR
SCHEMBL12499329 0.82 PIK3CA (0.72) PIK3CACYP1A2CYP3A4CYP2C19TSHR

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 13/4885CYP1A2 2634/4885CYP3A4 3535/4885

“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.