SCHEMBL237686

SCHEMBL237686

COc1ccc(CNC(=O)C2CCN(Cc3ccc(-c4nc5c(cnc6cc(C)nn65)cc4-c4ccccc4)cc3)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.51
AKT2 P31751 5/20 0.51
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL238253 0.95 AKT1 (0.48) AKT1AKT2ACHEBACE1TP53
SCHEMBL235227 0.92 AKT1 (0.54) AKT1AKT2PKM
SCHEMBL16986860 0.91 AKT1 (0.45) AKT1AKT2ACHETP53SMN1; SMN2
SCHEMBL238317 0.90 AKT1 (0.51) AKT1AKT2
SCHEMBL238886 0.89 AKT1 (0.56) AKT1AKT2PKMLMNAUSP2
SCHEMBL235380 0.89 AKT1 (0.52) AKT1AKT2ACHEBACE1RAB9A
SCHEMBL234789 0.88 AKT1 (0.55) AKT1AKT2
SCHEMBL235225 0.88 AKT1 (0.55) AKT1AKT2
SCHEMBL235459 0.88 AKT1 (0.58) AKT1AKT2
SCHEMBL237085 0.88 AKT1 (0.54) AKT1AKT2

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 4/4885ACHE 3928/4885

“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.