SCHEMBL1505765

SCHEMBL1505765

CCNC(=O)Nc1ncc(-c2cncc(C(=O)OCC)c2)c(-c2ccc(N3CCOCC3)cc2)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.50
PIK3CA P42336 5/20 0.45
PIK3CG P48736 1/20 0.45
PIK3CD O00329 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MC4R P32245 1/20 0.44
HTT P42858 1/20 0.44
CLK1 P49759 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL1505763 0.88 MTOR (0.50) MTORPIK3CAPIK3CGPIK3CDMEN1
SCHEMBL2139276 0.81 KDM4E (0.41) MTORKMT2AGAAMAPTSMN1; SMN2
SCHEMBL2132461 0.79 ABL1 (0.40) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL1506100 0.78 ALDH1A1 (0.41) KMT2AGAAMAPTHTTSMN1; SMN2
SCHEMBL2137127 0.78 MAPT (0.45) MAPTSMN1; SMN2
SCHEMBL1505706 0.78 KDM4E (0.43) KMT2AGAAMAPTSMN1; SMN2
SCHEMBL1505581 0.78 KDM4E (0.43) KMT2AGAAMAPTSMN1; SMN2
SCHEMBL1505602 0.78 KDM4E (0.42) MTORKMT2AGAAMAPTSMN1; SMN2
SCHEMBL1505496 0.77 MTOR (0.46) MTORPIK3CAPIK3CGPIK3CDMAPT
SCHEMBL2134704 0.76 CDK5 (0.41) KMT2AGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 MTOR 1184/4885PIK3CA 3393/4885PIK3CG 3667/4885

“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.