SCHEMBL2124387

SCHEMBL2124387

c1cc2c(cc1N1CCOCC1)NCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 1/20 0.53
LGMN Q99538 2/20 0.44
PIK3CA P42336 3/20 0.42
SYK P43405 1/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
PRKDC P78527 2/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL21397183 0.79 ALDH1A1 (0.44) MAPTALDH1A1HSD17B10GAASYK
Hydrochloric Acid SCHEMBL28452475 0.78 ALDH1A1 (0.47) MAPTALDH1A1HSD17B10GAASYK
Hydrochloric Acid SCHEMBL21381361 0.78 ALDH1A1 (0.43) MAPTALDH1A1HSD17B10GAASYK
SCHEMBL15981860 0.75 DRD2 (0.52) MAPTALDH1A1HSD17B10GAALGMN
SCHEMBL15981859 0.75 DRD2 (0.52) MAPTALDH1A1HSD17B10GAALGMN
Hydrochloric Acid SCHEMBL3281217 0.75 LGMN (0.41) MAPTALDH1A1HSD17B10LGMNPIK3CA
SCHEMBL24495679 0.73 LGMN (0.49) MAPTALDH1A1HSD17B10LGMNPIK3CA
SCHEMBL30226755 0.73 ALDH1A1 (0.46) MAPTALDH1A1HSD17B10LGMNPIK3CA
SCHEMBL24783546 0.73 ALDH1A1 (0.46) MAPTALDH1A1HSD17B10LGMNPIK3CA
SCHEMBL19030160 0.73 LGMN (0.45) MAPTALDH1A1HSD17B10GAALGMN

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 MAPT 3420/4885ALDH1A1 3735/4885HSD17B10 4139/4885

“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.