SCHEMBL5310571

SCHEMBL5310571

Cn1nnc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(n6ccc7ccccc76)CC5)cc4)nc3c2)n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.70
AKT2 P31751 10/20 0.70
AKT3 Q9Y243 7/20 0.52
CCR5 P51681 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A4 P31645 1/20 0.44
PAX8 Q06710 1/20 0.43

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
SCHEMBL5312414 1.00 AKT1 (0.70) AKT1AKT2AKT3CCR5DRD2
SCHEMBL5313248 0.85 AKT1 (0.74) AKT1AKT2AKT3CCR5PAX8
SCHEMBL5330758 0.83 AKT1 (1.00) AKT1AKT2AKT3PAX8
SCHEMBL5363861 0.83 AKT1 (1.00) AKT1AKT2AKT3PAX8
SCHEMBL5260840 0.82 AKT1 (0.68) AKT1AKT2AKT3CCR5DRD2
SCHEMBL5257294 0.81 AKT1 (0.64) AKT1AKT2AKT3CCR5DRD2
SCHEMBL5259612 0.74 AKT1 (0.61) AKT1AKT2AKT3CCR5PAX8
SCHEMBL5354357 0.74 AKT1 (0.84) AKT1AKT2AKT3
SCHEMBL5256723 0.74 AKT1 (0.61) AKT1AKT2AKT3CCR5PAX8
SCHEMBL5257804 0.73 AKT1 (0.56) AKT1AKT2AKT3CCR5DRD2

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 11 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-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.