SCHEMBL14820971

SCHEMBL14820971

CCNC(=O)Nc1ccc(-c2nc(-c3cc(F)ccc3S(C)(=O)=O)nc(N3CCOC[C@@H]3C)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 10/20 0.64
▸ PIK3CD O00329 6/20 0.64
▸ MTOR P42345 15/20 0.57
▸ CYP3A4 P08684 4/20 0.56
▸ RPTOR Q8N122 2/20 0.54
▸ MLST8 Q9BVC4 2/20 0.54

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
SCHEMBL16320502 1.00 PIK3CA (0.64) PIK3CAPIK3CDMTORCYP3A4RPTOR
SCHEMBL14810438 0.92 PIK3CA (0.64) PIK3CAPIK3CDMTOR
SCHEMBL16340848 0.92 PIK3CA (0.56) PIK3CAPIK3CDMTORRPTORMLST8
SCHEMBL16340846 0.92 PIK3CA (0.56) PIK3CAPIK3CDMTORRPTORMLST8
SCHEMBL14812167 0.92 PIK3CA (0.64) PIK3CAPIK3CDMTOR
SCHEMBL16341266 0.92 PIK3CA (0.54) PIK3CAPIK3CDMTOR
SCHEMBL14820970 0.92 PIK3CA (0.54) PIK3CAPIK3CDMTOR
SCHEMBL14811324 0.91 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL14811326 0.91 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL2369976 0.91 PIK3CD (0.59) PIK3CAPIK3CDMTORCYP3A4RPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758379-B1 Urea and carbamate derivatives of 2-morpholino-1,3,5-triazine as mTOR inhibitors for the treatment of immunological or proliferative diseases CELLZOME LTD (GB) 2016-10-19 — — EP claimed
US-9175011-B2 Morpholino substituted urea or carbamate derivatives as MTOR inhibitors Cellzone Limited (GB) 2015-11-03 — — US claimed
US-20140378438-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-12-25 — — US claimed
EP-2758379-B1 Urea and carbamate derivatives of 2-morpholino-1,3,5-triazine as mTOR inhibitors for the treatment of immunological or proliferative diseases CELLZOME LTD (GB) 2016-10-19 — — EP disclosed
EP-2758379-B1 Urea and carbamate derivatives of 2-morpholino-1,3,5-triazine as mTOR inhibitors for the treatment of immunological or proliferative diseases CELLZOME LTD (GB) 2016-10-19 — — EP disclosed
US-9175011-B2 Morpholino substituted urea or carbamate derivatives as MTOR inhibitors Cellzone Limited (GB) 2015-11-03 — — US disclosed
US-9175011-B2 Morpholino substituted urea or carbamate derivatives as MTOR inhibitors Cellzone Limited (GB) 2015-11-03 — — US disclosed
US-9175011-B2 Morpholino substituted urea or carbamate derivatives as MTOR inhibitors Cellzone Limited (GB) 2015-11-03 — — US disclosed
US-20140378438-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-12-25 — — US disclosed
US-20140378438-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-12-25 — — US disclosed
US-20140378438-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2014-12-25 — — US disclosed
WO-2013041652-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-03-28 — — 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-20140378438-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, RPTOR PIK3CA 400/4885PIK3CD 775/4885MTOR 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.

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