SCHEMBL237593

SCHEMBL237593

Nc1cnc2cc(C3CC3)nn2c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
STAT1 P42224 1/20 0.32
PLAT P00750 1/20 0.32
POLB P06746 1/20 0.31
APP P05067 1/20 0.30
DGAT1 O75907 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 0.80 FYN (0.38) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL237815 0.80 FYN (0.35) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16986797 0.79 KDM4E (0.42) FYNNPC1RAB9ASMN1; SMN2KDM4E
Water SCHEMBL16986823 0.78 KDM4E (0.41) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL239684 0.76 NPC1 (0.34) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL239633 0.76 NPC1 (0.40) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL235071 0.75 NPC1 (0.36) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16863075 0.73 LMNA (0.39) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4472609 0.72 DGAT1 (0.52) FYNNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL236593 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ENPSR1

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 FYN 496/4885NPC1 1127/4885RAB9A 778/4885

“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.