SCHEMBL237501

SCHEMBL237501

Cc1cc2ncc3cc(-c4cccc(F)c4)c(-c4ccc(C5(N6C(=O)c7ccccc7C6=O)CC(C)(O)C5)cc4)nc3n2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.34
AKT2 P31751 17/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL2755295 1.00 AKT1 (0.34) AKT1AKT2CYP3A4CYP2D6CYP2C9
SCHEMBL237502 1.00 AKT1 (0.34) AKT1AKT2CYP3A4CYP2D6CYP2C9
SCHEMBL239783 0.93 AKT1 (0.39) AKT1AKT2
SCHEMBL239784 0.93 AKT1 (0.39) AKT1AKT2
SCHEMBL2755297 0.93 AKT1 (0.39) AKT1AKT2
SCHEMBL2755318 0.92 AKT1 (0.37) AKT1AKT2
SCHEMBL236274 0.92 AKT1 (0.37) AKT1AKT2
SCHEMBL236273 0.92 AKT1 (0.37) AKT1AKT2
SCHEMBL238585 0.92 AKT1 (0.41) AKT1AKT2
SCHEMBL237947 0.92 AKT1 (0.41) AKT1AKT2

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 4/4885CYP3A4 3509/4885

“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.