SCHEMBL1938575

SCHEMBL1938575

N#Cc1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 1.00
AKT2 P31751 10/20 0.73
OPRM1 P35372 1/20 0.68
AKT3 Q9Y243 1/20 0.66
PAX8 Q06710 1/20 0.65

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
SCHEMBL1938639 0.85 AKT1 (1.00) AKT1AKT2OPRM1AKT3PAX8
SCHEMBL1939856 0.84 AKT1 (1.00) AKT1AKT2OPRM1AKT3PAX8
SCHEMBL5309121 0.84 PAX8 (0.88) AKT1AKT2OPRM1AKT3PAX8
SCHEMBL5259609 0.84 PAX8 (0.88) AKT1AKT2OPRM1AKT3PAX8
SCHEMBL1939220 0.83 AKT1 (0.70) AKT1AKT2
SCHEMBL14531956 0.83 AKT1 (0.81) AKT1AKT2AKT3
SCHEMBL1940025 0.83 AKT1 (0.76) AKT1AKT2AKT3
SCHEMBL13869133 0.82 AKT1 (0.80) AKT1AKT2OPRM1AKT3
SCHEMBL1938251 0.82 AKT1 (0.86) AKT1AKT2AKT3
SCHEMBL1940023 0.82 AKT1 (1.00) AKT1AKT2OPRM1AKT3PAX8

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-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP claimed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US claimed
EP-1622616-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-02-08 EP claimed
WO-2004096131-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 WO claimed
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
EP-1622616-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2004096131-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 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-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 AKT1 5/4885AKT2 4/4885OPRM1 3757/4885

“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.