SCHEMBL725321

SCHEMBL725321

CCC(=O)Nc1nc(N2CCOCC2)sc1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
PIK3CD O00329 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
SHMT2 P34897 1/20 0.40
RAB9A P51151 1/20 0.38
PIN1 Q13526 1/20 0.38
HPGD P15428 2/20 0.37
PIK3CG P48736 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 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
SCHEMBL724907 0.86 PIK3CA (0.45) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL10124468 0.81 PIK3CD (0.40) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL19902544 0.70 PIK3CD (0.72) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL724741 0.69 CTSK (0.45) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3140235 0.69 ALOX15 (0.47) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL22501230 0.65 UCHL1 (0.55) GAAALDH1A1KDM4ESMN1; SMN2SHMT2
SCHEMBL24829791 0.64 ALDH1A1 (1.00) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3083538 0.64 PIK3CD (0.62) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL9762260 0.64 ALDH1A1 (0.41) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3064554 0.64 LMNA (0.53) GAAALDH1A1KDM4EMAPTRAB9A

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 3 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-8410095-B2 Thiazolopyrimidinone derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2012-03-01 US 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-20120053147-A1 THIAZOLOPYRIMIDINONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CA, PI4KA GAA 1146/4885ALDH1A1 2476/4885KDM4E 3250/4885

“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.