SCHEMBL994356

SCHEMBL994356

CCOC1(CNC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.39
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
CTSK P43235 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL5523316 0.86 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1TSHR
SCHEMBL20196820 0.85 USP2 (0.41) USP2SMN1; SMN2EPHX2EPHX1DDB1
SCHEMBL3031720 0.80 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1TSHR
SCHEMBL31566967 0.79 PIK3R1 (0.41) USP2SMN1; SMN2EPHX2DDB1CRBN
SCHEMBL31094820 0.78 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1DDB1
SCHEMBL20621851 0.78 HPGD (0.43) USP2SMN1; SMN2EPHX2EPHX1TSHR
SCHEMBL19226693 0.77 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1TSHR
SCHEMBL25363246 0.77 USP2 (0.46) USP2SMN1; SMN2EPHX2EPHX1DDB1
SCHEMBL20869150 0.76 SMN1; SMN2 (0.38) USP2SMN1; SMN2EPHX2EPHX1TSHR
SCHEMBL25361748 0.75 USP2 (0.45) USP2SMN1; SMN2EPHX2EPHX1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB USP2 3145/4885SMN1; SMN2 2967/4885EPHX2 2575/4885

“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.