SCHEMBL1901339

SCHEMBL1901339

COc1ncc(Br)c2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.47
AKT2 P31751 1/20 0.47
KIT P10721 3/20 0.36
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 2/20 0.33
BCL2 P10415 1/20 0.33
MERTK Q12866 1/20 0.31
PPIA P62937 1/20 0.31
PDE2A O00408 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
SCHEMBL1903026 0.93 AKT1 (0.45) AKT1AKT2KITKDRTEK
SCHEMBL1902780 0.91 KDR (0.37) AKT1AKT2KDRTEKROCK2
SCHEMBL14118861 0.85 AKT1 (0.44) AKT1AKT2KITKDRTEK
SCHEMBL1908167 0.84 EGFR (0.46) AKT1AKT2KDRTEKEGFR
SCHEMBL1907735 0.84 AKT1 (0.36) AKT1AKT2KDRTEKROCK2
SCHEMBL1907254 0.82 AKT1 (0.43) AKT1AKT2KITKDRTEK
SCHEMBL14119427 0.81 AKT1 (0.44) AKT1AKT2KITKDRTEK
SCHEMBL1534539 0.80 AKT1 (0.42) AKT1AKT2KITCNR1CNR2
SCHEMBL1898933 0.80 AKT1 (0.46) AKT1AKT2KDM4EALDH1A1HPGD
SCHEMBL1534455 0.78 AKT1 (0.44) 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.