SCHEMBL3488490

SCHEMBL3488490

COc1ccc(CN2CC(C)O[C@@H](COCc3ccccc3)C2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL2305068 1.00 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL2511022 1.00 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3488059 0.82 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL31578920 0.82 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL2304816 0.80 MEN1 (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL28813983 0.78 MEN1 (0.44) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL15968361 0.75 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL15968364 0.75 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL24338288 0.72 KDM4E (0.60) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL23556004 0.72 KDM4E (0.60) KMT2AMEN1KDM4EALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 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 (2 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 KMT2A 1852/4885MEN1 3151/4885KDM4E 2078/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 KMT2A 1852/4885MEN1 3151/4885KDM4E 2078/4885

“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.