SCHEMBL236063

SCHEMBL236063

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 6/20 0.38
AKT1 P31749 8/20 0.38
AKT2 P31751 7/20 0.38
KDM1A O60341 1/20 0.33
RET P07949 3/20 0.32
SMPD3 Q9NY59 1/20 0.31
KIT P10721 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
SCHEMBL236064 1.00 EGLN2 (0.38) EGLN2AKT1AKT2KDM1ARET
SCHEMBL2755333 1.00 EGLN2 (0.38) EGLN2AKT1AKT2KDM1ARET
SCHEMBL235321 0.93 AKT1 (0.39) EGLN2AKT1AKT2KIT
SCHEMBL2755329 0.93 AKT1 (0.39) EGLN2AKT1AKT2KIT
SCHEMBL235320 0.93 AKT1 (0.39) EGLN2AKT1AKT2KIT
SCHEMBL235484 0.92 AKT1 (0.40) AKT1AKT2KIT
SCHEMBL235485 0.92 AKT1 (0.40) AKT1AKT2KIT
SCHEMBL2755337 0.92 AKT1 (0.40) AKT1AKT2KIT
SCHEMBL235957 0.90 AKT1 (0.39) EGLN2AKT1AKT2RETKIT
SCHEMBL2755331 0.90 AKT1 (0.39) EGLN2AKT1AKT2RETKIT

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 EGLN2 3430/4885AKT1 13/4885AKT2 4/4885

“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.