SCHEMBL2370231

SCHEMBL2370231

CC1COCCN1c1cc(-c2cc(F)ccc2S(C)(=O)=O)nc(S(C)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.47
ATRIP Q8WXE1 10/20 0.47
PDCD1 Q15116 9/20 0.47
CD274 Q9NZQ7 9/20 0.47
CHEK1 O14757 8/20 0.47
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 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
SCHEMBL2370224 1.00 ATR (0.47) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369786 0.90 ATR (0.47) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369791 0.90 ATR (0.47) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369424 0.85 ATR (0.52) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369429 0.85 ATR (0.52) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369648 0.83 PIK3R1 (0.50) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369642 0.83 PIK3R1 (0.50) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369967 0.81 ATR (0.42) ATRATRIPPDCD1CD274CHEK1
SCHEMBL14471524 0.81 PIK3CA (0.56) ATRATRIPPDCD1CD274CHEK1
SCHEMBL2369442 0.80 PIK3R1 (0.51) ATRATRIPPDCD1CD274CHEK1

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 4051/4885PDCD1 2737/4885

“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.