SCHEMBL1904574

SCHEMBL1904574

COc1nc(NC(C)=O)nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.42
AKT2 P31751 3/20 0.42
KIT P10721 2/20 0.36
MERTK Q12866 1/20 0.35
EGFR P00533 2/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
NR4A2 P43354 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL1902971 0.91 MERTK (0.37) AKT1AKT2MERTKEGFRKDR
SCHEMBL14119427 0.88 AKT1 (0.44) AKT1AKT2KITMERTKEGFR
SCHEMBL1906684 0.88 AKT1 (0.41) AKT1AKT2KITMERTKEGFR
SCHEMBL1904752 0.88 AKT1 (0.41) AKT1AKT2KITMERTKEGFR
SCHEMBL14118818 0.86 AKT1 (0.42) AKT1AKT2KITMERTKEGFR
SCHEMBL1908167 0.84 EGFR (0.46) AKT1AKT2MERTKEGFRKDR
SCHEMBL1899714 0.84 AKT1 (0.46) AKT1AKT2
SCHEMBL1907525 0.83 AKT1 (0.41) AKT1AKT2KITMERTKEGFR
SCHEMBL1905446 0.82 EGFR (0.37) AKT1AKT2MERTKEGFRKDR
SCHEMBL14118913 0.82 AKT1 (0.41) AKT1AKT2KITMERTKEGFR

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.