SCHEMBL235071

SCHEMBL235071

Nc1c(CO)cnc2cc(C3CCC3)nn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 2/20 0.36
FYN P06241 1/20 0.34
TP53 P04637 2/20 0.33
DGAT1 O75907 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
PARP1 P09874 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
STAT1 P42224 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL239025 0.94 FYN (0.38) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL239684 0.77 NPC1 (0.34) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL237593 0.75 FYN (0.39) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL235020 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2755219 0.74 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL236798 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL236782 0.73 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL237815 0.72 FYN (0.35) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL238744 0.71 NPC1 (0.36) NPC1RAB9ASMN1; SMN2KDM4EFYN
SCHEMBL16986797 0.71 KDM4E (0.42) 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.