SCHEMBL2369977

SCHEMBL2369977

CC1COCCN1c1cc(-c2cncc(F)c2)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.48
PDPK1 O15530 2/20 0.43
ROCK1 Q13464 2/20 0.43
AURKB Q96GD4 2/20 0.43
AURKA O14965 1/20 0.43
ATR Q13535 7/20 0.42
ATRIP Q8WXE1 3/20 0.42
CHEK1 O14757 2/20 0.42
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
PIK3CA P42336 2/20 0.41
PIK3C3 Q8NEB9 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
SCHEMBL2369969 1.00 MTOR (0.48) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL2370536 0.86 MTOR (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL2370548 0.86 MTOR (0.42) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL15139868 0.84 PDCD1 (0.47) MTORATRATRIPCHEK1PDCD1
SCHEMBL15139865 0.84 PDCD1 (0.47) MTORATRATRIPCHEK1PDCD1
SCHEMBL20797915 0.83 ATR (0.60) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL20798085 0.81 MTOR (0.53) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL20798003 0.79 ATR (0.46) MTORPDPK1ROCK1AURKBAURKA
SCHEMBL4203116 0.78 PIK3C3 (0.42) MTORATRATRIPCHEK1PDCD1
SCHEMBL4194610 0.77 PIK3CA (0.44) MTORATRATRIPCHEK1PDCD1

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.