SCHEMBL2124292

SCHEMBL2124292

Clc1ccc2nc3c(c(Cl)c2c1)CCC3

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.74
BCHE P06276 12/20 0.74
GRIN1 Q05586 8/20 0.74
GRIN2A Q12879 8/20 0.74
MAPT P10636 2/20 0.68
POLB P06746 2/20 0.67
RECQL P46063 1/20 0.67
CASP6 P55212 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.62
CHRM1 P11229 1/20 0.56
EPHX2 P34913 1/20 0.56
SLC2A1 P11166 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL2126156 0.97 ACHE (0.74) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL18065461 0.95 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL4266767 0.87 ACHE (0.74) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL8006170 0.85 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL29818080 0.84 BCHE (0.77) ACHEBCHEMAPTSLC2A1
SCHEMBL31442668 0.84 ACHE (0.70) ACHEBCHEGRIN1GRIN2AMAPT
Hydrochloric Acid SCHEMBL29817811 0.84 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL29023229 0.84 ACHE (0.73) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL5467926 0.83 BCHE (0.70) ACHEBCHEGRIN1GRIN2AMAPT
SCHEMBL31139195 0.83 BCHE (0.70) ACHEBCHEGRIN1GRIN2AMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ACHE 3061/4885BCHE 1616/4885GRIN1 2955/4885

“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.