SCHEMBL2123294

SCHEMBL2123294

CC(C)(C)OC(=O)N1CCSc2ncc(N3CCOCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.45
AKT1 P31749 1/20 0.45
MTOR P42345 1/20 0.45
IDH1 O75874 3/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
TGFBR1 P36897 1/20 0.38
USP30 Q70CQ3 1/20 0.38
AKR1C3 P42330 1/20 0.36
PIK3R1 P27986 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL2124134 0.83 POLB (0.40) PIK3CAAKT1SMN1; SMN2AKR1C3FGFR2
SCHEMBL12974889 0.81 SHMT2 (0.36) GPR119
SCHEMBL2124939 0.81 SHMT2 (0.36)
SCHEMBL2123930 0.76 PIK3CA (0.56) PIK3CAIDH1
SCHEMBL28429340 0.70 GPR119 (0.45) PIK3CAMTORIDH1USP2SMN1; SMN2
SCHEMBL12526589 0.70 SMN1; SMN2 (0.55) PIK3CAUSP2SMN1; SMN2GPR119RECQL
SCHEMBL28591244 0.70 PIK3CA (0.41) PIK3CAAKT1MTORIDH1USP2
SCHEMBL25147736 0.69 PIK3CA (0.47) PIK3CAAKT1MTORIDH1USP2
SCHEMBL30331957 0.69 PIK3CA (0.47) PIK3CAAKT1MTORIDH1USP2
SCHEMBL807129 0.69 ABHD6 (0.48) PIK3CAMTORIDH1USP2SMN1; SMN2

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 28/4885AKT1 80/4885MTOR 314/4885

“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.