SCHEMBL2369762

SCHEMBL2369762

CC1COCCN1c1cc(-c2ccccc2S(C)(=O)=O)nc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.53
ATRIP Q8WXE1 16/20 0.47
CHEK1 O14757 13/20 0.45
PDCD1 Q15116 13/20 0.45
CD274 Q9NZQ7 13/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3C3 Q8NEB9 2/20 0.44

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
SCHEMBL2369755 1.00 ATR (0.53) ATRATRIPCHEK1PDCD1CD274
SCHEMBL2369791 0.88 ATR (0.47) ATRATRIPCHEK1PDCD1CD274
SCHEMBL2369786 0.88 ATR (0.47) ATRATRIPCHEK1PDCD1CD274
SCHEMBL14811562 0.84 ATR (0.49) ATRATRIPCHEK1PDCD1CD274
SCHEMBL14811565 0.84 ATR (0.49) ATRATRIPCHEK1PDCD1CD274
SCHEMBL20798085 0.80 MTOR (0.53) ATRATRIPPIK3CDPIK3CAPIK3C3
SCHEMBL2370231 0.78 ATR (0.47) ATRATRIPCHEK1PDCD1CD274
SCHEMBL2370224 0.78 ATR (0.47) ATRATRIPCHEK1PDCD1CD274
SCHEMBL740079 0.77 PIK3CA (0.53) ATRATRIPCHEK1PDCD1CD274
SCHEMBL2370012 0.77 ATR (0.58) ATRATRIPCHEK1PDCD1CD274

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 5 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
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 ATR 3546/4885ATRIP 4051/4885CHEK1 1638/4885

“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.