SCHEMBL1939129

SCHEMBL1939129

CN1CCN(Cc2ccc(-c3ncc(C#N)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.64
TNIK Q9UKE5 2/20 0.53
CHKA P35790 2/20 0.51
KDR P35968 3/20 0.47
MC4R P32245 1/20 0.47
MET P08581 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
NR4A2 P43354 1/20 0.46
DCTPP1 Q9H773 1/20 0.46
RET P07949 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
SCHEMBL1939088 0.87 AKT1 (0.64) AKT1KDRDCTPP1
SCHEMBL1940177 0.86 AKT1 (0.70) AKT1
SCHEMBL1940528 0.85 AKT1 (0.47) AKT1TNIKKDRMET
SCHEMBL1940434 0.85 AKT1 (0.57) AKT1TNIKMETRET
SCHEMBL1939591 0.84 AKT1 (0.71) AKT1
SCHEMBL1939415 0.81 AKT1 (0.64) AKT1
SCHEMBL1939709 0.81 AKT1 (0.55) AKT1
SCHEMBL1939647 0.80 AKT1 (0.54) AKT1
SCHEMBL1938617 0.78 AKT1 (1.00) AKT1
SCHEMBL1940089 0.78 AKT1 (1.00) 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 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 5/4885TNIK 361/4885CHKA 398/4885

“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.