SCHEMBL12292467

SCHEMBL12292467

CCNC(=O)Nc1ccc(-c2ccnc(N3CCOC[C@@H]3C)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.71
PIK3CD O00329 5/20 0.71
MTOR P42345 17/20 0.60
CYP3A4 P08684 1/20 0.60
RPTOR Q8N122 1/20 0.60
MLST8 Q9BVC4 1/20 0.60

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
SCHEMBL2369763 1.00 PIK3CA (0.71) PIK3CAPIK3CDMTORCYP3A4RPTOR
SCHEMBL12290245 0.91 MTOR (0.59) PIK3CAPIK3CDMTORCYP3A4RPTOR
SCHEMBL2370369 0.91 MTOR (0.59) PIK3CAPIK3CDMTORCYP3A4RPTOR
SCHEMBL2369896 0.88 PIK3CA (0.66) PIK3CAPIK3CDMTOR
SCHEMBL2369902 0.88 PIK3CA (0.66) PIK3CAPIK3CDMTOR
SCHEMBL14471460 0.87 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL2370395 0.87 PIK3CA (0.59) PIK3CAPIK3CDMTOR
SCHEMBL2370392 0.87 PIK3CA (0.59) PIK3CAPIK3CDMTOR
SCHEMBL2369926 0.86 MTOR (0.63) PIK3CAPIK3CDMTOR
SCHEMBL2369932 0.86 MTOR (0.63) PIK3CAPIK3CDMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US 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
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.