SCHEMBL235956

SCHEMBL235956

Cc1cc2ncc3cc(-c4ccccc4C#N)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CC(C)(O)C5)cc4)nc3n2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
AKT2 P31751 1/20 0.39
TTK P33981 1/20 0.34
RET P07949 6/20 0.33
KIT P10721 2/20 0.33
EGLN2 Q96KS0 2/20 0.32
ABL1 P00519 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
NSD2 O96028 1/20 0.32
PTPN1 P18031 1/20 0.32
F2R P25116 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL2755331 1.00 AKT1 (0.39) AKT1AKT2TTKRETKIT
SCHEMBL16995250 1.00 AKT1 (0.39) AKT1AKT2TTKRETKIT
SCHEMBL235957 1.00 AKT1 (0.39) AKT1AKT2TTKRETKIT
SCHEMBL2755333 0.90 EGLN2 (0.38) AKT1AKT2RETKITEGLN2
SCHEMBL236064 0.90 EGLN2 (0.38) AKT1AKT2RETKITEGLN2
SCHEMBL236063 0.90 EGLN2 (0.38) AKT1AKT2RETKITEGLN2
SCHEMBL2755345 0.89 AKT1 (0.39) AKT1AKT2KITCNR1CNR2
SCHEMBL2755329 0.89 AKT1 (0.39) AKT1AKT2KITEGLN2
SCHEMBL235320 0.89 AKT1 (0.39) AKT1AKT2KITEGLN2
SCHEMBL235321 0.89 AKT1 (0.39) AKT1AKT2KITEGLN2

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 3 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 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 4/4885TTK 339/4885

“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.