SCHEMBL235798

SCHEMBL235798

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(NC(=O)Nc6ccc(C(C)(C)C)cc6)CC5)cc4)nc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.51
AKT2 P31751 5/20 0.51
KMT2A Q03164 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CXCR3 P49682 1/20 0.44
DCUN1D1 Q96GG9 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.43
UBE2M P61081 2/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL238539 0.94 AKT1 (0.55) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL237813 0.92 AKT1 (0.52) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL235863 0.91 MEN1 (0.55) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL234791 0.91 AKT1 (0.55) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL238109 0.87 AKT1 (0.54) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL238121 0.86 AKT1 (0.51) AKT1AKT2MCHR1
SCHEMBL238691 0.85 AKT1 (0.52) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL238546 0.84 AKT1 (0.51) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL237127 0.84 AKT1 (0.61) AKT1AKT2KMT2A
SCHEMBL235907 0.83 AKT1 (0.59) AKT1AKT2KMT2A

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 4/4885KMT2A 1843/4885

“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.