SCHEMBL238540

SCHEMBL238540

Clc1nc2c(cnc3cc(-c4ccsc4)nn32)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
FYN P06241 4/20 0.41
ALDH1A1 P00352 2/20 0.39
STAT1 P42224 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
AURKA O14965 2/20 0.37
APP P05067 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL239877 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL2755217 0.83 KDM4E (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL236310 0.83 KDM4E (0.48) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL239038 0.81 RAB9A (0.42) NPC1RAB9ASMN1; SMN2FYNRXFP1
SCHEMBL3253997 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL238625 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL238211 0.78 CYP11B1 (0.35) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL235881 0.78 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL237827 0.77 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL234372 0.76 FYN (0.40) NPC1RAB9ASMN1; SMN2KDM4EFYN

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 NPC1 1127/4885RAB9A 778/4885SMN1; SMN2 3442/4885

“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.