SCHEMBL1901113

SCHEMBL1901113

COc1nccc2c(I)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)oc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.38
AKT2 P31751 1/20 0.38
KIT P10721 2/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MTNR1A P48039 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
MAPK1 P28482 1/20 0.30
PSMB8 P28062 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
SCHEMBL1902234 0.88 MAPK1 (0.34) AKT1MTNR1AMAPK1
SCHEMBL1907254 0.88 AKT1 (0.43) AKT1AKT2KITCNR1CNR2
SCHEMBL1534539 0.85 AKT1 (0.42) AKT1AKT2KITCNR1CNR2
SCHEMBL14118861 0.80 AKT1 (0.44) AKT1AKT2KITCNR1CNR2
SCHEMBL14119002 0.79 AKT1 (0.38) AKT1AKT2KITCNR1CNR2
SCHEMBL1534639 0.78 AKT1 (0.39) AKT1AKT2KITCNR1CNR2
SCHEMBL1907601 0.78
SCHEMBL1907209 0.77 SCN9A (0.36) AKT1AKT2MTNR1AMAPK1
SCHEMBL1534493 0.77 AKT1 (0.39) AKT1AKT2KITCNR1CNR2
SCHEMBL1902324 0.77 AKT1 (0.37) AKT1AKT2

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.