SCHEMBL5315633

SCHEMBL5315633

O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncccc4cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.79
AKT2 P31751 15/20 0.73
AKT3 Q9Y243 2/20 0.68

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
SCHEMBL5256804 0.92 AKT1 (0.66) AKT1AKT2AKT3
SCHEMBL5401310 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL5351640 0.88 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL5257840 0.88 AKT1 (0.61) AKT1AKT2AKT3
SCHEMBL3890001 0.84 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL13869133 0.84 AKT1 (0.80) AKT1AKT2AKT3
SCHEMBL1939724 0.83 AKT1 (0.71) AKT1AKT2AKT3
SCHEMBL3893793 0.83 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL1939514 0.83 AKT1 (0.73) AKT1AKT2AKT3
SCHEMBL1938639 0.83 AKT1 (1.00) AKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP claimed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US claimed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US claimed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 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-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885AKT3 3/4885

“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.