SCHEMBL1899583

SCHEMBL1899583

COC(=O)c1cn(C)c(=O)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)oc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.41
AKT2 P31751 5/20 0.41
BRD4 O60885 1/20 0.35
NR4A2 P43354 1/20 0.34
PDE2A O00408 2/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
KIT P10721 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA3 P34903 2/20 0.31
ITGA4 P13612 2/20 0.31
ITGB7 P26010 2/20 0.31
TP53 P04637 1/20 0.31
GABRA5 P31644 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL1904781 0.94 AKT1 (0.41) AKT1AKT2BRD4PDE2ACNR1
SCHEMBL1901181 0.84 AKT1 (0.48) AKT1AKT2BRD4
SCHEMBL1904773 0.81 AKT1 (0.36) AKT1AKT2BRD4PDE2A
SCHEMBL1534659 0.81 AKT1 (0.41) AKT1AKT2LMNAALDH1A1
SCHEMBL14118831 0.81 AKT1 (0.46) AKT1AKT2
SCHEMBL1908238 0.81 AKT1 (0.43) AKT1AKT2CNR1CNR2KIT
SCHEMBL1905277 0.81 BRD4 (0.38) AKT1AKT2BRD4NR4A2PDE2A
SCHEMBL1534577 0.79 AKT1 (0.41) AKT1AKT2PDE2ACNR1CNR2
SCHEMBL14118644 0.79 AKT1 (0.42) AKT1AKT2BRD4PDE2ACNR1
SCHEMBL1903507 0.78 AKT1 (0.33) AKT1AKT2PDE2A

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 2/4885BRD4 1493/4885

“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.