SCHEMBL2369993

SCHEMBL2369993

CSc1nc(-c2cc(F)ccc2SC)cc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.46
MTOR P42345 4/20 0.42
ATRIP Q8WXE1 6/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PIK3CA P42336 3/20 0.41
CHEK1 O14757 2/20 0.41
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41

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
SCHEMBL2370000 1.00 ATR (0.46) ATRMTORATRIPPIK3C3PIK3CA
SCHEMBL2370548 0.78 MTOR (0.42) ATRMTORATRIPPIK3C3PIK3CA
SCHEMBL2370536 0.78 MTOR (0.42) ATRMTORATRIPPIK3C3PIK3CA
SCHEMBL20797819 0.74 ATR (0.58) ATRMTORATRIPPIK3C3PIK3CA
SCHEMBL20797918 0.74 KMT2A (0.60) ATRMTORATRIPPIK3CA
SCHEMBL20741651 0.74 KMT2A (0.64) ATRMTORATRIPPIK3CACHEK1
SCHEMBL2369754 0.74 KMT2A (0.64) ATRMTORATRIPPIK3CACHEK1
SCHEMBL2369751 0.74 KMT2A (0.64) ATRMTORATRIPPIK3CACHEK1
SCHEMBL30629322 0.74 PDCD1 (0.47) ATRMTORATRIPPIK3CACHEK1
SCHEMBL2370224 0.71 ATR (0.47) ATRATRIPPIK3CACHEK1PDCD1

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 ATR 3546/4885MTOR 1/4885ATRIP 4051/4885

“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.