SCHEMBL236019

SCHEMBL236019

CC(C)(C)c1cc2ncc3cc(-c4ccccc4F)c(=O)[nH]c3n2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAT P00750 4/20 0.35
SRC P12931 2/20 0.35
BTK Q06187 2/20 0.35
LYN P07948 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NPC1 O15118 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
MAPK9 P45984 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
GRM2 Q14416 1/20 0.32
SCD O00767 1/20 0.32

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
SCHEMBL3248277 0.88 ADORA2A (0.40) PLATSRCBTKLYNADORA2A
SCHEMBL236540 0.86 AURKA (0.38) SRCLYNADORA2AADORA1MAPT
SCHEMBL240034 0.84 KDM5B (0.38) PLATSRCBTKLYNADORA2A
SCHEMBL234907 0.80 PLAT (0.36) PLATBTKADORA2AADORA1MAPT
SCHEMBL234906 0.78 BTK (0.36) BTKADORA3NPC1
SCHEMBL238612 0.77 TRPA1 (0.41) PLATMAPKAPK2
SCHEMBL238115 0.77 PKM (0.38) PLATSRCBTKLYNNPC1
SCHEMBL238760 0.76 NPC1 (0.34) SRCBTKNPC1GABRA1GABRG2
SCHEMBL239674 0.75 TP53 (0.40) NPC1
SCHEMBL237804 0.75 PARP1 (0.40) PLATSRCBTKLYNADORA2A

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 6 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
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 PLAT 1906/4885SRC 384/4885BTK 221/4885

“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.