SCHEMBL2369642

SCHEMBL2369642

C[C@H]1COCCN1c1nc(Cl)cc(-c2cc(F)ccc2S(C)(=O)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.50
PIK3CA P42336 5/20 0.50
PIK3C3 Q8NEB9 1/20 0.48
MTOR P42345 6/20 0.47
PIK3CD O00329 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
ATR Q13535 8/20 0.45
PDCD1 Q15116 6/20 0.45
CD274 Q9NZQ7 6/20 0.45
CHEK1 O14757 4/20 0.45
ATRIP Q8WXE1 4/20 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
SCHEMBL2369648 1.00 PIK3R1 (0.50) PIK3R1PIK3CAPIK3C3MTORPIK3CD
SCHEMBL2369791 0.87 ATR (0.47) PIK3R1PIK3CAPIK3C3ATRPDCD1
SCHEMBL2369786 0.87 ATR (0.47) PIK3R1PIK3CAPIK3C3ATRPDCD1
SCHEMBL2369442 0.85 PIK3R1 (0.51) PIK3R1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL2369437 0.85 PIK3R1 (0.51) PIK3R1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL2370224 0.83 ATR (0.47) PIK3R1PIK3CAATRPDCD1CD274
SCHEMBL2370231 0.83 ATR (0.47) PIK3R1PIK3CAATRPDCD1CD274
SCHEMBL2369769 0.81 PIK3CA (0.47) PIK3R1PIK3CAMTORPIK3CD
SCHEMBL2370144 0.79 PIK3CA (0.43) PIK3R1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL2370136 0.79 PIK3CA (0.43) PIK3R1PIK3CAMTORPIK3CDPIK3CB

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 11 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-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 PIK3R1 350/4885PIK3CA 347/4885PIK3C3 440/4885

“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.