SCHEMBL1939360

SCHEMBL1939360

N#Cc1cnc(-c2ccc(C=O)cc2)c(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.53
KDM1A O60341 2/20 0.46
MAOB P27338 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
METAP2 P50579 1/20 0.40
AKT2 P31751 2/20 0.39
MALT1 Q9UDY8 2/20 0.38
CYP19A1 P11511 1/20 0.38
EP300 Q09472 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL7213440 0.87 AKT1 (0.56) AKT1KDM1AMAOBPTGDR2METAP2
SCHEMBL3838001 0.82 AKT1 (0.53) AKT1KDM1AMAOBMETAP2
SCHEMBL3837608 0.78 AKT1 (0.58) AKT1KDM1AMAOBPTGDR2METAP2
SCHEMBL2899390 0.75 AKT1 (0.46) AKT1AKT2
SCHEMBL14430129 0.73 KDM1A (0.54) AKT1KDM1AMAOBMETAP2AKT2
SCHEMBL1652625 0.73 AKT1 (0.66) AKT1KDM1AMAOBAKT2MALT1
SCHEMBL3840082 0.72 AKT1 (0.59) AKT1KDM1AMAOBPTGDR2AKT2
SCHEMBL5904305 0.71 KDM1A (0.59) AKT1KDM1AMAOBLRRK2
SCHEMBL30656042 0.71 ADORA2A (0.50) AKT1KDM1AMAOB
SCHEMBL1939129 0.70 AKT1 (0.64) AKT1

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 16 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 disclosed
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
EP-1631548-B1 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-10-28 EP disclosed
EP-1631548-B1 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-10-28 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-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 US disclosed
US-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 US disclosed
EP-1631548-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP 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
US-20060270673-A1 Inhibitors of akt activity MERCK & CO., INC. (US) 2006-11-30 US disclosed
EP-1631548-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-03-08 EP disclosed
EP-1622616-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2004096135-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 WO 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 (2 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-20060270673-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 AKT1 1/4885KDM1A 2090/4885MAOB 3613/4885
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.