SCHEMBL2470952

SCHEMBL2470952

O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc(Cc4c[nH]c5ccccc45)c(O)nc3-c3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.66
AKT2 P31751 16/20 0.66
AKT3 Q9Y243 9/20 0.66
TDP1 Q9NUW8 1/20 0.56
RUVBL1 Q9Y265 1/20 0.56

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
SCHEMBL2472904 1.00 AKT1 (0.66) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL3979061 0.89 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL3980608 0.89 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL3979811 0.86 AKT1 (0.75) AKT1AKT2AKT3
SCHEMBL3979816 0.86 AKT1 (0.75) AKT1AKT2AKT3
SCHEMBL2441673 0.83 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL2437301 0.83 AKT1 (0.78) AKT1AKT2AKT3
SCHEMBL3983210 0.82 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL3978936 0.82 AKT1 (0.77) AKT1AKT2AKT3
SCHEMBL5348455 0.80 AKT1 (1.00) AKT1AKT2AKT3TDP1RUVBL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524850-B2 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative MERCK & CO., INC. (US) 2009-04-28 US claimed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US claimed
EP-1494675-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2006-07-19 EP claimed
US-20050182256-A1 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; antiproliferative MERCK & CO., INC. 2005-08-18 US claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2003086279-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1494675-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2003-10-23 EP claimed
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed
US-7524850-B2 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524850-B2 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524850-B2 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-20050182256-A1 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; antiproliferative MERCK & CO., INC. 2005-08-18 US disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2003086279-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
EP-1494675-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2003-10-23 EP 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 (4 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-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 AKT1 4/4885AKT2 2/4885AKT3 7/4885
US-20050182256-A1 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; antiproliferative PLK1, AKT2, SKP2 AKT1 10/4885AKT2 2/4885AKT3 9/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 AKT1 13/4885AKT2 9/4885AKT3 12/4885
US-20070142388-A1 Inhibitors of Akt activity AKT2, AKT1, AKT3 AKT1 2/4885AKT2 1/4885AKT3 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.