SCHEMBL238539

SCHEMBL238539

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(NC(=O)Nc6ccccc6)CC5)cc4)nc3n2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.55
AKT2 P31751 5/20 0.55
KMT2A Q03164 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
DCUN1D1 Q96GG9 4/20 0.49
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MCHR1 Q99705 1/20 0.45
CCR3 P51677 1/20 0.44
UBE2M P61081 2/20 0.44
F10 P00742 1/20 0.43
HPN P05981 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HGFAC Q04756 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43

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
SCHEMBL234791 0.96 AKT1 (0.55) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL237813 0.95 AKT1 (0.52) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL235798 0.94 AKT1 (0.51) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL238109 0.90 AKT1 (0.54) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL237127 0.90 AKT1 (0.61) AKT1AKT2KMT2ACCR3
SCHEMBL16986824 0.88 BCHE (0.52) AKT1AKT2CCR3
SCHEMBL238876 0.88 AKT1 (0.52) AKT1AKT2DRD4POLBCCR3
SCHEMBL238691 0.88 AKT1 (0.52) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL238546 0.87 AKT1 (0.51) AKT1AKT2KMT2ADRD2DRD4
SCHEMBL238121 0.87 AKT1 (0.51) AKT1AKT2MCHR1

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.