SCHEMBL236292

SCHEMBL236292

COC(=O)C1CCN(Cc2ccc(-c3nc4c(cnc5cc(C)nn54)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.53
AKT2 P31751 12/20 0.53
POLB P06746 2/20 0.43
CHRM4 P08173 4/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL235319 0.93 AKT1 (0.52) AKT1AKT2KDM4EALDH1A1
SCHEMBL236743 0.92 AKT1 (0.55) AKT1AKT2CHRM4CD274
SCHEMBL236766 0.91 AKT1 (0.53) AKT1AKT2CHRM4
SCHEMBL237453 0.91 AKT1 (0.64) AKT1AKT2CHRM4
SCHEMBL235229 0.90 AKT1 (0.53) AKT1AKT2CHRM4
SCHEMBL237858 0.90 AKT1 (0.54) AKT1AKT2CHRM4
SCHEMBL16986914 0.89 AKT1 (0.48) AKT1AKT2CHRM4
SCHEMBL237127 0.89 AKT1 (0.61) AKT1AKT2CHRM4
SCHEMBL234789 0.89 AKT1 (0.55) AKT1AKT2CHRM4CD274
SCHEMBL235225 0.89 AKT1 (0.55) AKT1AKT2POLBCHRM4CD274

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 9 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
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 4/4885POLB 1307/4885

“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.