SCHEMBL2029992

SCHEMBL2029992

CC(C)(C)N(C(=O)O)C1(c2ccc(-c3nc4ccc5nnc(-c6ccncc6)n5c4nc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.35
AKT2 P31751 20/20 0.35
CHRM1 P11229 1/20 0.33
FLT1 P17948 1/20 0.33
CLK1 P49759 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
AKT3 Q9Y243 1/20 0.33

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
SCHEMBL2027013 1.00 AKT1 (0.35) AKT1AKT2CHRM1FLT1CLK1
SCHEMBL2030949 0.88 HSD11B1 (0.35) AKT1AKT2
SCHEMBL13254906 0.81 TACR3 (0.39) AKT1AKT2CHRM1FLT1CLK1
SCHEMBL13254922 0.81 TACR3 (0.39) AKT1AKT2CHRM1FLT1CLK1
Trifluoroacetic Acid SCHEMBL2025809 0.81 AKT1 (0.48) AKT1AKT2CHRM1FLT1CLK1
Trifluoroacetic Acid SCHEMBL2030613 0.81 AKT1 (0.48) AKT1AKT2CHRM1FLT1CLK1
SCHEMBL12583831 0.80 AKT1 (0.49) AKT1AKT2
SCHEMBL12583827 0.80 AKT1 (0.49) AKT1AKT2
SCHEMBL2032351 0.80 AKT1 (0.54) AKT1AKT2
SCHEMBL12583826 0.80 AKT1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US 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 (3 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-20080161317-A1 Inhibitors of Akt activity PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885CHRM1 4854/4885
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885CHRM1 4854/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885CHRM1 4854/4885

“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.