SCHEMBL238253

SCHEMBL238253

COc1cc(CNC(=O)C2CCN(Cc3ccc(-c4nc5c(cnc6cc(C)nn65)cc4-c4ccccc4)cc3)CC2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.48
AKT2 P31751 5/20 0.48
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 1/20 0.41
BCHE P06276 1/20 0.41
TP53 P04637 1/20 0.41
CHRM4 P08173 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL237686 0.95 AKT1 (0.51) AKT1AKT2ACHEBACE1TP53
SCHEMBL238317 0.93 AKT1 (0.51) AKT1AKT2ALDH1A1ERCC1ERCC4
SCHEMBL16986924 0.91 AKT1 (0.44) AKT1AKT2KDM4EMCHR1ALDH1A1
SCHEMBL235227 0.91 AKT1 (0.54) AKT1AKT2ALDH1A1CHRM4
SCHEMBL238886 0.88 AKT1 (0.56) AKT1AKT2ALDH1A1CHRM4USP2
SCHEMBL235380 0.87 AKT1 (0.52) AKT1AKT2KDM4EALDH1A1ACHE
SCHEMBL237514 0.87 AKT1 (0.52) AKT1AKT2ALDH1A1ACHEUSP2
SCHEMBL234789 0.87 AKT1 (0.55) AKT1AKT2CHRM4
SCHEMBL235225 0.87 AKT1 (0.55) AKT1AKT2CHRM4
SCHEMBL235228 0.86 AKT1 (0.58) AKT1AKT2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 AKT1 13/4885AKT2 4/4885KDM4E 2166/4885

“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.