SCHEMBL1900913

SCHEMBL1900913

COCCn1cnc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
AKT2 P31751 1/20 0.41
TNK2 Q07912 6/20 0.39
LCK P06239 5/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KIT P10721 2/20 0.37
NPSR1 Q6W5P4 4/20 0.37
USP2 O75604 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL14118898 0.92 AKT1 (0.40) AKT1AKT2TNK2LCKKDM4E
SCHEMBL14118951 0.92 AKT1 (0.40) AKT1AKT2TNK2LCKKDM4E
SCHEMBL1901320 0.91 ALDH1A1 (0.40) TNK2LCKKDM4EALDH1A1SMN1; SMN2
SCHEMBL1900418 0.91 AKT1 (0.41) AKT1AKT2TNK2LCKKDM4E
SCHEMBL14119341 0.89 AKT1 (0.40) AKT1AKT2TNK2LCKKDM4E
SCHEMBL1908238 0.88 AKT1 (0.43) AKT1AKT2TNK2LCKKDM4E
SCHEMBL1906905 0.88 AKT1 (0.40) AKT1AKT2TNK2LCKKDM4E
SCHEMBL14119078 0.88 AKT1 (0.40) AKT1AKT2TNK2LCKKDM4E
SCHEMBL14118901 0.84 AKT1 (0.41) AKT1AKT2TNK2LCKALDH1A1
SCHEMBL14119069 0.84 AKT1 (0.41) AKT1AKT2TNK2LCKKDM4E

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 2/4885TNK2 33/4885

“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.