SCHEMBL1903455

SCHEMBL1903455

O=C(O)NC1(c2ccc(-c3oc4cc[nH]c(=O)c4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.36
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR3 P29371 2/20 0.34
SSTR4 P31391 1/20 0.33
SCN9A Q15858 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
AKT1 P31749 3/20 0.33
AKT2 P31751 1/20 0.32
CHEK1 O14757 1/20 0.31

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
SCHEMBL1907185 0.88 AKT1 (0.41) PDE2ASSTR4AKT1AKT2
SCHEMBL1905333 0.84 TACR3 (0.36) PDE2ATACR3SSTR4SCN9ACYP3A4
SCHEMBL1903687 0.83 CHEK1 (0.40) PDE2ACHEK1
SCHEMBL1903720 0.82 PDE2A (0.34) PDE2ATACR3SSTR4SCN9AAKT1
SCHEMBL1902469 0.81 AKT1 (0.47) AKT1AKT2
SCHEMBL14118764 0.80 TACR3 (0.42) MEN1KMT2ATACR3CYP3A4CYP2C8
SCHEMBL1907804 0.80 PDE2A (0.34) PDE2AMEN1HSP90AA1KMT2ATACR3
SCHEMBL14119440 0.78 PDE2A (0.40) PDE2ATACR3
SCHEMBL1903877 0.78 MAPK14 (0.46) PDE2ATACR3SCN9AAKT1
SCHEMBL1905736 0.77 MEN1 (0.32) MEN1HSP90AA1KMT2A

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 PDE2A 2363/4885MEN1 1472/4885HSP90AA1 848/4885

“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.