SCHEMBL238691

SCHEMBL238691

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(NC(=O)c6ccc(O)cc6)CC5)cc4)nc3n2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.52
AKT2 P31751 4/20 0.52
CHRM4 P08173 1/20 0.49
GABRA5 P31644 1/20 0.47
DRD4 P21917 3/20 0.46
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
DRD2 P14416 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 2/20 0.45
SLC6A12 P48065 1/20 0.45
SLC6A13 Q9NSD5 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL238109 0.96 AKT1 (0.54) AKT1AKT2CHRM4GABRA5DRD4
SCHEMBL235863 0.94 MEN1 (0.55) AKT1AKT2CHRM4GABRA5DRD4
SCHEMBL238546 0.94 AKT1 (0.51) AKT1AKT2CHRM4GABRA5DRD4
SCHEMBL238876 0.90 AKT1 (0.52) AKT1AKT2CHRM4DRD4
SCHEMBL238539 0.88 AKT1 (0.55) AKT1AKT2DRD4DRD2MCHR1
SCHEMBL238121 0.86 AKT1 (0.51) AKT1AKT2CHRM4MCHR1
SCHEMBL237582 0.86 AKT1 (0.51) AKT1AKT2
SCHEMBL2755250 0.86 AKT1 (0.51) AKT1AKT2CHRM4GABRA5MCHR1
SCHEMBL236654 0.86 AKT1 (0.55) AKT1AKT2CHRM4LMNA
SCHEMBL234257 0.85 AKT1 (0.50) 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 6 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
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

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 4/4885CHRM4 4871/4885

“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.