SCHEMBL4069632

SCHEMBL4069632

O=[N+]([O-])c1cnccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
MAPK1 P28482 5/20 0.75
MAPT P10636 3/20 0.68
PKM P14618 1/20 0.68
RAB9A P51151 1/20 0.68
NPSR1 Q6W5P4 1/20 0.63
ROCK2 O75116 3/20 0.60
ROCK1 Q13464 1/20 0.60
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58
SIGMAR1 Q99720 6/20 0.56
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52

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
SCHEMBL18741808 0.94 MEN1 (0.67) MEN1KMT2AMAPK1MAPTPKM
SCHEMBL18741809 0.94 MEN1 (0.67) MEN1KMT2AMAPK1MAPTPKM
SCHEMBL6159635 0.86 MAPK1 (1.00) MEN1KMT2AMAPK1MAPTPKM
Hydrochloric Acid SCHEMBL11102389 0.85 MAPK1 (0.97) MEN1KMT2AMAPK1MAPTPKM
SCHEMBL4014383 0.83 MEN1 (0.56) MEN1KMT2AMAPK1MAPTPKM
SCHEMBL6161561 0.81 MAPK1 (0.80) MEN1KMT2AMAPK1MAPTPKM
SCHEMBL929466 0.80 MEN1 (0.86) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL29539267 0.80 MEN1 (0.86) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL6585695 0.80 MAPK1 (0.78) MEN1KMT2AMAPK1MAPTPKM
SCHEMBL3288703 0.80 MAPK1 (0.78) MEN1KMT2AMAPK1MAPTPKM

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-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
CN-1859912-A Inhibitors of Akt activity SMITHKLINE BEECHAM CORP (US) 2006-11-08 CN disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 MEN1 3151/4885KMT2A 1852/4885MAPK1 62/4885

“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.