SCHEMBL5330758

SCHEMBL5330758

Cn1nnc(-c2ccc3nc(-c4ccc(CN5CCC(n6c(=O)[nH]c7ccccc76)CC5)cc4)c(-c4ccccc4)nc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
AKT2 P31751 14/20 1.00
AKT3 Q9Y243 9/20 0.77
PAX8 Q06710 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
RUVBL1 Q9Y265 1/20 0.61

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
SCHEMBL5363861 1.00 AKT1 (1.00) AKT1AKT2AKT3PAX8TDP1
SCHEMBL5354357 0.91 AKT1 (0.84) AKT1AKT2AKT3
SCHEMBL14500992 0.87 AKT1 (1.00) AKT1AKT2AKT3PAX8TDP1
SCHEMBL14501020 0.86 AKT1 (0.83) AKT1AKT2AKT3PAX8TDP1
SCHEMBL14501018 0.86 AKT1 (0.83) AKT1AKT2AKT3PAX8TDP1
SCHEMBL5310682 0.86 AKT1 (0.76) AKT1AKT2AKT3PAX8TDP1
SCHEMBL5306249 0.86 AKT1 (0.76) AKT1AKT2AKT3PAX8TDP1
SCHEMBL5348455 0.86 AKT1 (1.00) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL14501032 0.85 AKT1 (0.84) AKT1AKT2AKT3PAX8TDP1
SCHEMBL5645940 0.85 AKT1 (0.87) AKT1AKT2AKT3PAX8TDP1

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
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-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.