SCHEMBL5259609

SCHEMBL5259609

N#Cc1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.88
AKT1 P31749 18/20 0.79
AKT2 P31751 12/20 0.79
AKT3 Q9Y243 5/20 0.79
OPRM1 P35372 1/20 0.71

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
SCHEMBL5309121 1.00 PAX8 (0.88) PAX8AKT1AKT2AKT3OPRM1
SCHEMBL5348455 0.89 AKT1 (1.00) AKT1AKT2AKT3OPRM1
SCHEMBL29388417 0.88 AKT1 (0.87) PAX8AKT1AKT2AKT3OPRM1
SCHEMBL5645940 0.88 AKT1 (0.87) PAX8AKT1AKT2AKT3OPRM1
SCHEMBL14501020 0.87 AKT1 (0.83) PAX8AKT1AKT2AKT3OPRM1
SCHEMBL14501018 0.87 AKT1 (0.83) PAX8AKT1AKT2AKT3OPRM1
SCHEMBL14501032 0.86 AKT1 (0.84) PAX8AKT1AKT2AKT3OPRM1
SCHEMBL5313477 0.86 AKT1 (0.84) PAX8AKT1AKT2AKT3
SCHEMBL5306880 0.86 AKT1 (1.00) PAX8AKT1AKT2AKT3
SCHEMBL5311901 0.86 AKT1 (1.00) PAX8AKT1AKT2AKT3

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-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-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 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 (3 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 PAX8 4588/4885AKT1 1/4885AKT2 2/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 PAX8 3513/4885AKT1 4/4885AKT2 2/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 PAX8 3852/4885AKT1 13/4885AKT2 9/4885

“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.