SCHEMBL2369917

SCHEMBL2369917

C[C@H]1COCCN1c1cc(-c2cc(F)ccc2S(C)(=O)=O)nc(-c2ccc(NC(=O)NCCF)cc2F)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.51
PIK3CA P42336 10/20 0.51
PIK3CD O00329 6/20 0.49
PIK3R1 P27986 2/20 0.41
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
CHEK1 O14757 1/20 0.40
ATR Q13535 1/20 0.40
PDCD1 Q15116 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
KCNH2 Q12809 1/20 0.39
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 0.39

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
SCHEMBL2369923 1.00 MTOR (0.51) MTORPIK3CAPIK3CDPIK3R1RAF1
SCHEMBL2370739 0.94 PIK3CA (0.58) MTORPIK3CAPIK3CDPIK3R1RAF1
SCHEMBL2370736 0.94 PIK3CA (0.58) MTORPIK3CAPIK3CDPIK3R1RAF1
SCHEMBL2370100 0.89 PIK3CA (0.47) MTORPIK3CAPIK3CDPIK3R1RAF1
SCHEMBL2370096 0.89 PIK3CA (0.47) MTORPIK3CAPIK3CDPIK3R1RAF1
SCHEMBL2369674 0.86 PIK3CA (0.70) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2369677 0.86 PIK3CA (0.70) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2369793 0.85 PIK3CA (0.51) MTORPIK3CAPIK3CD
SCHEMBL2369776 0.85 PIK3CA (0.51) MTORPIK3CAPIK3CD
SCHEMBL16340846 0.84 PIK3CA (0.56) MTORPIK3CAPIK3CDKCNH2RICTOR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US claimed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US claimed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP claimed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO claimed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 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-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 MTOR 1/4885PIK3CA 347/4885PIK3CD 562/4885

“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.