SCHEMBL238121

SCHEMBL238121

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(NC(=O)OC(C)(C)C)CC5)cc4)nc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.51
AKT2 P31751 6/20 0.51
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
NSD2 O96028 1/20 0.43
JAK1 P23458 1/20 0.42
CHRM4 P08173 3/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MCHR1 Q99705 1/20 0.40
KCNA3 P22001 1/20 0.39

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
SCHEMBL238109 0.88 AKT1 (0.54) AKT1AKT2CHRM4MCHR1
SCHEMBL16986889 0.88 AKT1 (0.49) AKT1AKT2CHRM4MCHR1
SCHEMBL16986845 0.87 AKT1 (0.48) AKT1AKT2CHRM4
SCHEMBL235863 0.87 MEN1 (0.55) AKT1AKT2CHRM4
SCHEMBL238539 0.87 AKT1 (0.55) AKT1AKT2MCHR1
SCHEMBL16986922 0.87 AKT1 (0.48) AKT1AKT2CHRM4
SCHEMBL237126 0.87 AKT1 (0.51) AKT1AKT2CHRM4
SCHEMBL238691 0.86 AKT1 (0.52) AKT1AKT2CHRM4MCHR1
SCHEMBL238876 0.86 AKT1 (0.52) AKT1AKT2CHRM4
SCHEMBL16986846 0.86 AKT1 (0.46) AKT1AKT2CHRM4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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 (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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 AKT1 13/4885AKT2 4/4885CKS1B 235/4885

“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.