SCHEMBL238654

SCHEMBL238654

CC(=O)Oc1cccc(-c2cc3cnc4cc(C)nn4c3nc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
GAPDH P04406 2/20 0.41
CYP1A2 P05177 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 4/20 0.36
ADORA2A P29274 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35

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
SCHEMBL2755334 0.89 NPC1 (0.43) MAOBGAPDHCYP1A2NPC1RAB9A
SCHEMBL234750 0.88 MAOB (0.41) MAOBGAPDHCYP1A2NPC1RAB9A
SCHEMBL239031 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL238620 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL235881 0.81 RAB9A (0.48) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL240488 0.78 KMT2A (0.39) CYP1A2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL238571 0.76 NPC1 (0.61) CYP1A2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL237538 0.72 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL239054 0.72 TSHR (0.45) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL239384 0.70 ALDH1A1 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2HPGD

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 MAOB 3293/4885GAPDH 2308/4885CYP1A2 4093/4885

“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.