SCHEMBL2370100

SCHEMBL2370100

CC1COCCN1c1cc(-c2cc(F)ccc2S(C)(=O)=O)nc(-c2ccc(NC(=O)NC3CC3)cc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.47
PIK3CD O00329 6/20 0.47
MTOR P42345 5/20 0.45
CHEK1 O14757 4/20 0.40
ATR Q13535 4/20 0.40
PDCD1 Q15116 4/20 0.40
ATRIP Q8WXE1 4/20 0.40
CD274 Q9NZQ7 4/20 0.40
PIK3R1 P27986 3/20 0.40
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 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
SCHEMBL2370096 1.00 PIK3CA (0.47) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL2370693 0.92 PIK3CA (0.56) PIK3CAPIK3CDMTOR
SCHEMBL2370699 0.92 PIK3CA (0.56) PIK3CAPIK3CDMTOR
SCHEMBL2369923 0.89 MTOR (0.51) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL2369917 0.89 MTOR (0.51) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL2370736 0.89 PIK3CA (0.58) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL2370739 0.89 PIK3CA (0.58) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL2369967 0.88 ATR (0.42) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL2370011 0.85 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3R1
SCHEMBL2370013 0.85 PIK3CA (0.48) PIK3CAPIK3CDMTORPIK3R1

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 9 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
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
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

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.