SCHEMBL1904327

SCHEMBL1904327

CC(C)(C)OC(=O)NC1(c2ccc(-c3oc4ncc(COCc5ccccc5)nc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
AKT2 P31751 1/20 0.40
KIT P10721 2/20 0.38
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PPARA Q07869 2/20 0.35
KLK7 P49862 2/20 0.34
KLK5 Q9Y337 2/20 0.34
CTSS P25774 1/20 0.33
PDE2A O00408 3/20 0.33
PRMT5 O14744 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 1/20 0.33
GHSR Q92847 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
PPARG P37231 1/20 0.32
LCK P06239 1/20 0.32
TNK2 Q07912 1/20 0.32

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
SCHEMBL1903244 0.90 TACR3 (0.35) AKT1AKT2PDE2ASCN9AGHSR
SCHEMBL1903104 0.86 AKT1 (0.44) AKT1AKT2KITCNR1CNR2
SCHEMBL14118982 0.83 AKT1 (0.42) AKT1AKT2KITCNR1CNR2
SCHEMBL14119116 0.83 AKT1 (0.42) AKT1AKT2KITCNR1CNR2
SCHEMBL14118838 0.83 AKT1 (0.42) AKT1AKT2KITCNR1CNR2
SCHEMBL14118754 0.83 AKT1 (0.42) AKT1AKT2KITCNR1CNR2
SCHEMBL1905611 0.83 AKT1 (0.40) AKT1AKT2KITCNR1CNR2
SCHEMBL14119305 0.81 AKT1 (0.40) AKT1AKT2KITCNR1CNR2
SCHEMBL14119496 0.80 AKT1 (0.41) AKT1AKT2KITCNR1CNR2
SCHEMBL14118948 0.80 AKT1 (0.41) AKT1AKT2KITCNR1CNR2

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 2/4885KIT 1541/4885

“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.