SCHEMBL2370136

SCHEMBL2370136

C[C@H]1COCCN1c1nc(-c2ccc(N(C(=O)O)c3ccccc3)cc2)cc(-c2cc(F)ccc2S(C)(=O)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.43
PIK3R1 P27986 3/20 0.43
MTOR P42345 12/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ATR Q13535 5/20 0.40
CHEK1 O14757 1/20 0.38
PDCD1 Q15116 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL2370144 1.00 PIK3CA (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2369927 0.90 PIK3CA (0.45) PIK3CAMTORPIK3CDATRCHEK1
SCHEMBL2369934 0.90 PIK3CA (0.45) PIK3CAMTORPIK3CDATRCHEK1
SCHEMBL2369769 0.85 PIK3CA (0.47) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL2369442 0.85 PIK3R1 (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2369437 0.85 PIK3R1 (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL15144967 0.83 PIK3CA (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL2369976 0.81 PIK3CD (0.59) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL2369979 0.81 PIK3CD (0.59) PIK3CAPIK3R1MTORPIK3CD
SCHEMBL2370013 0.81 PIK3CA (0.48) PIK3CAPIK3R1MTORPIK3CD

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 3 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 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 347/4885PIK3R1 350/4885MTOR 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.