SCHEMBL12499554

SCHEMBL12499554

COc1ccc(F)c(-c2nc(NCC(=O)O)nc(N3CCOCC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.57
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MTOR P42345 2/20 0.43
HTT P42858 1/20 0.43
TPH1 P17752 1/20 0.42
FFAR1 O14842 1/20 0.42
ALOX15 P16050 1/20 0.42
IDH2 P48735 1/20 0.42

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
SCHEMBL15386516 0.86 PIK3CA (0.58) PIK3CAKDM4EHTTTPH1
SCHEMBL12499370 0.83 PIK3CA (0.75) PIK3CAMAPTMTORHTTTPH1
SCHEMBL12499356 0.77 PIK3CA (0.82) PIK3CAKDM4EMTORHTTTPH1
SCHEMBL12499306 0.74 PIK3CA (0.64) PIK3CAMTORHTTTPH1
SCHEMBL15386542 0.74 PIK3CA (0.80) PIK3CAMAPTMEN1KMT2AKDM4E
SCHEMBL18193254 0.73 PIK3CA (0.81) PIK3CAMEN1KMT2AKDM4EMTOR
SCHEMBL12498708 0.73 PIK3CA (1.00) PIK3CAKMT2AMTORHTTTPH1
SCHEMBL12498781 0.72 PIK3CA (0.62) PIK3CAMEN1KMT2AKDM4EHTT
SCHEMBL12499065 0.72 PIK3CA (0.80) PIK3CAMEN1KMT2AMTORHTT
SCHEMBL12499669 0.71 PIK3CA (0.78) PIK3CAMEN1KMT2AMTORHTT

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 13/4885MAPT 2250/4885MEN1 1736/4885

“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.