SCHEMBL725151

SCHEMBL725151

COC(=O)c1sc(N2CCOCC2)nc1N

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 3/20 0.56
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.45
ALOX5 P09917 2/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
PTGS2 P35354 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
SCHEMBL723767 0.82 PIK3CD (0.56) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL724650 0.82 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL15348861 0.76 PIK3CD (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL28064462 0.75 PIK3CD (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL15356842 0.75 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL15349131 0.73 AR (0.50) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL24829791 0.72 ALDH1A1 (1.00) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL19034738 0.72 PIK3CA (0.54) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL15348889 0.72 PIK3CD (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL27191747 0.72 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432321-B1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-06-14 EP disclosed
US-9676732-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-06-13 US disclosed
EP-3049409-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-05-03 EP disclosed
US-20170114028-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-04-27 US disclosed
EP-3049409-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-08-03 EP disclosed
US-20160207890-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015044075-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-04-02 WO disclosed
US-8410095-B2 Thiazolopyrimidinone derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
EP-2432321-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-03-28 EP disclosed
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-03-01 US disclosed
WO-2010135504-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-11-25 WO disclosed
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-05 US disclosed
EP-1847541-A1 FUSED PYRIMIDINE DERIVATIVE AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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 (4 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-20160207890-A1 ETHYNYL DERIVATIVES GRM2, GRIA4, GRM4 MAPT 2412/4885SMN1; SMN2 1192/4885ALDH1A1 1383/4885
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF GNRHR, FSHR, NPY4R MAPT 4612/4885SMN1; SMN2 3274/4885ALDH1A1 4008/4885
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CA, PI4KA MAPT 3699/4885SMN1; SMN2 4638/4885ALDH1A1 2476/4885
US-20170114028-A1 ETHYNYL DERIVATIVES GRM2, GRIA4, GRM4 MAPT 2412/4885SMN1; SMN2 1192/4885ALDH1A1 1383/4885

“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.