SCHEMBL1940177

SCHEMBL1940177

N#Cc1cnc(-c2ccc(CN3CCC(F)CC3)cc2)c(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.70
KDM1A O60341 3/20 0.48
MAOB P27338 1/20 0.48
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
CHEK1 O14757 1/20 0.46
ACHE P22303 1/20 0.46
AKT2 P31751 5/20 0.46
PRKAA2 P54646 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL1939591 0.90 AKT1 (0.71) AKT1KDM1AMAOBDRD4DRD3
SCHEMBL1939088 0.88 AKT1 (0.64) AKT1KDM1AMAOBCHEK1ACHE
SCHEMBL1939415 0.86 AKT1 (0.64) AKT1ACHE
SCHEMBL1939129 0.86 AKT1 (0.64) AKT1
SCHEMBL1938617 0.83 AKT1 (1.00) AKT1AKT2DRD2
SCHEMBL1938245 0.82 AKT1 (1.00) AKT1AKT2
SCHEMBL1940089 0.81 AKT1 (1.00) AKT1AKT2
SCHEMBL1939220 0.81 AKT1 (0.70) AKT1DRD4DRD3AKT2DRD2
SCHEMBL12560799 0.80 AKT1 (0.60) AKT1DRD4AKT2PRKAA2DRD2
SCHEMBL1938575 0.80 AKT1 (1.00) AKT1AKT2

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 5/4885KDM1A 1744/4885MAOB 2688/4885

“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.