SCHEMBL238057

SCHEMBL238057

Cc1cc2ncc3cc(-c4cccc(O)c4)c(-c4ccc(C5(NC(=O)OC(C)(C)C)CC(C)(O)C5)cc4)nc3n2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.40
AKT2 P31751 5/20 0.40
KIT P10721 2/20 0.32
KDR P35968 2/20 0.32
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL2755339 1.00 AKT1 (0.40) AKT1AKT2KITKDRCNR1
SCHEMBL238058 1.00 AKT1 (0.40) AKT1AKT2KITKDRCNR1
SCHEMBL235484 0.94 AKT1 (0.40) AKT1AKT2KITKDRCNR1
SCHEMBL2755337 0.94 AKT1 (0.40) AKT1AKT2KITKDRCNR1
SCHEMBL235485 0.94 AKT1 (0.40) AKT1AKT2KITKDRCNR1
SCHEMBL2755329 0.90 AKT1 (0.39) AKT1AKT2KIT
SCHEMBL235320 0.90 AKT1 (0.39) AKT1AKT2KIT
SCHEMBL2755342 0.90 AKT1 (0.39) AKT1AKT2KITKDR
SCHEMBL235321 0.90 AKT1 (0.39) AKT1AKT2KIT
SCHEMBL236063 0.87 EGLN2 (0.38) AKT1AKT2KIT

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 4/4885KIT 2455/4885

“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.