SCHEMBL2370548

SCHEMBL2370548

CSc1nc(-c2cncc(F)c2)cc(N2CCOCC2C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.42
PDPK1 O15530 2/20 0.41
ROCK1 Q13464 2/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
ATR Q13535 8/20 0.40
CHEK1 O14757 2/20 0.40
PDCD1 Q15116 2/20 0.40
ATRIP Q8WXE1 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
PIK3CA P42336 3/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
PIK3CD O00329 1/20 0.37

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
SCHEMBL2370536 1.00 MTOR (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL2369969 0.86 MTOR (0.48) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL2369977 0.86 MTOR (0.48) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL20797819 0.83 ATR (0.58) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL15139868 0.81 PDCD1 (0.47) MTORATRCHEK1PDCD1ATRIP
SCHEMBL15139865 0.81 PDCD1 (0.47) MTORATRCHEK1PDCD1ATRIP
SCHEMBL2370000 0.78 ATR (0.46) MTORATRCHEK1PDCD1ATRIP
SCHEMBL2369993 0.78 ATR (0.46) MTORATRCHEK1PDCD1ATRIP
SCHEMBL20797918 0.74 KMT2A (0.60) MTORATRATRIPPIK3CAPIK3CD
SCHEMBL2369754 0.74 KMT2A (0.64) MTORATRCHEK1PDCD1ATRIP

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 MTOR 1/4885PDPK1 1509/4885ROCK1 2595/4885

“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.