SCHEMBL2124245

SCHEMBL2124245

O=S1(=O)CC2(CNc3cc(N4CCOCC4)ccc32)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PSMD14 O00487 1/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 2/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
LGMN Q99538 1/20 0.38
PRKDC P78527 2/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL2123620 0.88 PIK3CA (0.40) SLC6A2SLC6A4SLC6A3PSMD14PIK3CD
SCHEMBL2123590 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3PIK3CDPIK3CA
SCHEMBL2723513 0.83 LGMN (0.43) SLC6A2SLC6A4SLC6A3PIK3CDPIK3CA
SCHEMBL2721507 0.80 LGMN (0.45) SLC6A2SLC6A4SLC6A3PIK3CDPIK3CA
SCHEMBL2124272 0.79 LGMN (0.40) SLC6A2SLC6A4SLC6A3PIK3CDPIK3CA
SCHEMBL2124038 0.77 LGMN (0.45) SLC6A2SLC6A4SLC6A3PIK3CDPIK3CA
SCHEMBL1612499 0.72 CMA1 (0.40)
SCHEMBL2126046 0.70 PIK3CA (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2724370 0.68 PRKDC (0.41) MAPTPRKDCKIF11
SCHEMBL4408833 0.67 TDP1 (0.56) SLC6A2SLC6A4SLC6A3PIK3CDPIK3CA

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 SLC6A2 4867/4885SLC6A4 4808/4885SLC6A3 4825/4885

“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.