SCHEMBL238212

SCHEMBL238212

CC(C)(C)c1cc2ncc3cc(-c4cccs4)c(Cl)nc3n2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FYN P06241 9/20 0.34
BTK Q06187 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PDE10A Q9Y233 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
GRK5 P34947 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 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
SCHEMBL239384 0.88 ALDH1A1 (0.44) KDM4EALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL239555 0.83 CYP11B1 (0.36) KDM4EALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL236504 0.82 RAB9A (0.39) KDM4EALDH1A1L3MBTL1MAPTHPGD
SCHEMBL238211 0.80 CYP11B1 (0.35) KDM4EALDH1A1CYP11B1CYP11B2FYN
SCHEMBL239178 0.80 ALDH1A1 (0.37) KDM4EALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL238760 0.79 NPC1 (0.34) L3MBTL1BTKNPC1RAB9A
SCHEMBL2755267 0.78 PIM1 (0.41) KDM4EALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL234907 0.77 PLAT (0.36) KDM4EALDH1A1L3MBTL1FYNBTK
SCHEMBL236296 0.74 AKT1 (0.38)
SCHEMBL2755252 0.74 AKT1 (0.38)

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 5 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
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 KDM4E 2166/4885ALDH1A1 3980/4885L3MBTL1 2591/4885

“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.