SCHEMBL1902115

SCHEMBL1902115

CC(C)(C)OC(=O)NC1(c2ccc(-c3oc4nc[nH]c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
AKT2 P31751 1/20 0.42
EGFR P00533 2/20 0.36
KIT P10721 1/20 0.36
CHEK1 O14757 1/20 0.36
TNK2 Q07912 7/20 0.36
LCK P06239 6/20 0.36
PDE2A O00408 2/20 0.35
AURKA O14965 2/20 0.35
MERTK Q12866 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDR P35968 5/20 0.35
TEK Q02763 1/20 0.35
JAK3 P52333 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
UBE2N P61088 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1903687 0.88 CHEK1 (0.40) EGFRCHEK1TNK2LCKPDE2A
SCHEMBL1907185 0.85 AKT1 (0.41) AKT1AKT2KITPDE2ACNR1
SCHEMBL1908238 0.84 AKT1 (0.43) AKT1AKT2EGFRKITCHEK1
SCHEMBL14119010 0.83 AKT1 (0.41) AKT1AKT2KITPDE2ACNR1
SCHEMBL1908167 0.83 EGFR (0.46) AKT1AKT2EGFRCHEK1TNK2
SCHEMBL14118922 0.82 AKT1 (0.41) AKT1AKT2EGFRKITCHEK1
SCHEMBL1900418 0.82 AKT1 (0.41) AKT1AKT2EGFRKITCHEK1
SCHEMBL14118898 0.80 AKT1 (0.40) AKT1AKT2EGFRKITCHEK1
SCHEMBL1534681 0.80 AKT1 (0.44) AKT1AKT2KITPDE2AMERTK
SCHEMBL14119341 0.80 AKT1 (0.40) AKT1AKT2EGFRKITCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885EGFR 348/4885

“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.