SCHEMBL2370406

SCHEMBL2370406

Nc1ccc(-c2ccnc(N3CC4CCC(C3)O4)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
PIK3CA P42336 3/20 0.44
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CB P42338 1/20 0.44
DKK1 O94907 2/20 0.43
MAP3K12 Q12852 1/20 0.42
DPP4 P27487 1/20 0.40
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
SMG1 Q96Q15 1/20 0.39
DYRK1A Q13627 1/20 0.38

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
SCHEMBL628521 0.80 MAP3K12 (0.57) MTORPIK3CAMAP3K12
SCHEMBL4949146 0.80 MTOR (0.45) MTORPIK3CAPIK3CBMAP3K12
SCHEMBL14471461 0.79 HCRTR1 (0.45) MTORPIK3CAPIK3R1HCRTR1HCRTR2
SCHEMBL1408711 0.77 MTOR (0.58) MTORPIK3CAPIK3R1
SCHEMBL2369924 0.77 AGTR2 (0.48) HCRTR1HCRTR2
SCHEMBL3725617 0.76 PIK3CA (0.72) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2369667 0.76 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CB
SCHEMBL628460 0.76 MTOR (0.51) MTORPIK3CAPIK3R1MAP3K12CDK1
SCHEMBL2370567 0.74 MTOR (0.56) MTORPIK3CAPIK3CDPIK3R1
SCHEMBL627878 0.74 MTOR (0.42) MTORPIK3CAMAP3K12DYRK1A

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 10 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

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 1/4885PIK3CA 347/4885PIK3CD 562/4885

“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.