SCHEMBL1904752

SCHEMBL1904752

COCCNc1nc(OC)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)oc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
AKT2 P31751 2/20 0.41
EGFR P00533 2/20 0.37
KIT P10721 1/20 0.34
AURKA O14965 3/20 0.33
TNK2 Q07912 4/20 0.33
LCK P06239 2/20 0.32
CHEK1 O14757 1/20 0.32
PDE2A O00408 2/20 0.32
MERTK Q12866 1/20 0.32
NPPA P01160 1/20 0.32
MME P08473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL1906684 0.93 AKT1 (0.41) AKT1AKT2EGFRKITAURKA
SCHEMBL1903345 0.92 EGFR (0.39) AKT1AKT2EGFRAURKATNK2
SCHEMBL1904574 0.88 AKT1 (0.42) AKT1AKT2EGFRKITAURKA
SCHEMBL14118996 0.85 AKT1 (0.41) AKT1AKT2EGFRKITAURKA
SCHEMBL14119427 0.85 AKT1 (0.44) AKT1AKT2EGFRKITPDE2A
SCHEMBL1903935 0.84 AURKA (0.41) EGFRAURKATNK2CHEK1MERTK
SCHEMBL1907544 0.84 AKT1 (0.40) AKT1AKT2EGFRKITAURKA
SCHEMBL14119067 0.84 AURKA (0.37) AKT1AKT2EGFRAURKATNK2
SCHEMBL1904297 0.83 KMT2A (0.42) EGFRAURKATNK2CHEK1MERTK
SCHEMBL14118818 0.83 AKT1 (0.42) AKT1AKT2EGFRKITTNK2

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 2/4885EGFR 348/4885

“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.