SCHEMBL2123449

SCHEMBL2123449

CC1(C)C(=O)Nc2cc(N3CCOCC3)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHEK1 O14757 1/20 0.37
MET P08581 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
QPCT Q16769 1/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL2123191 0.77 PIK3CA (0.41) PIK3CAPIK3CDPIK3CB
SCHEMBL2123688 0.70 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPOLB
SCHEMBL24496572 0.70 MAPK14 (0.43) MAPK14KMT2A
SCHEMBL21495040 0.69 PIK3CA (0.41) PIK3CAL3MBTL1KDM4E
SCHEMBL28062142 0.69 MAPK1 (0.46) ALDH1A1SMN1; SMN2CHEK1MAPTKDM4E
SCHEMBL1233902 0.68 HTR6 (0.40) SMN1; SMN2METMAPK14HTTKMT2A
SCHEMBL2124845 0.67 POLB (0.39) PIK3CAPIK3CDPIK3CBL3MBTL1ALDH1A1
SCHEMBL17615470 0.66 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBL3MBTL1ALDH1A1
SCHEMBL30724575 0.65 AKR1C3 (0.45) PIK3CAPIK3CDPIK3CBL3MBTL1ALDH1A1
SCHEMBL31219957 0.65 MAPK14 (0.35) MAPK14

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 PIK3CA 28/4885PIK3CD 24/4885PIK3CB 40/4885

“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.