SCHEMBL2370693

SCHEMBL2370693

C[C@H]1COCCN1c1cc(-c2cc(F)ccc2S(C)(=O)=O)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
PIK3CD O00329 7/20 0.56
MTOR P42345 7/20 0.54
PIK3CB P42338 1/20 0.45
PIK3CG P48736 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
SCHEMBL2370699 1.00 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL2370096 0.92 PIK3CA (0.47) PIK3CAPIK3CDMTOR
SCHEMBL2370100 0.92 PIK3CA (0.47) PIK3CAPIK3CDMTOR
SCHEMBL14811640 0.91 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL14811641 0.91 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL2370011 0.90 PIK3CA (0.48) PIK3CAPIK3CDMTOR
SCHEMBL2370013 0.90 PIK3CA (0.48) PIK3CAPIK3CDMTOR
SCHEMBL2370257 0.90 PIK3CA (0.58) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL2370253 0.90 PIK3CA (0.58) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL14471524 0.90 PIK3CA (0.56) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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 PIK3CA 347/4885PIK3CD 562/4885MTOR 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.