SCHEMBL725653

SCHEMBL725653

CS/C(=N\C#N)N1CCOC(C)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 1/20 0.57
PDK1 Q15118 1/20 0.47
MAPT P10636 5/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
GLRA1 P23415 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
SCHEMBL725654 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EPDK1MAPTHTT
SCHEMBL725331 0.77 ALDH1A1 (0.75) ALDH1A1KDM4EPDK1MAPTHTT
SCHEMBL9533498 0.70 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL3335215 0.69 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL3335212 0.69 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTHTTCYP1A2
SCHEMBL17776430 0.68 PDK1 (0.56) ALDH1A1KDM4EPDK1CYP1A2GLRA1
SCHEMBL2933380 0.68 PDK1 (0.56) ALDH1A1KDM4EPDK1CYP1A2GLRA1
SCHEMBL15788160 0.68 PDK1 (0.56) ALDH1A1KDM4EPDK1CYP1A2GLRA1
SCHEMBL27696744 0.67 PDK1 (0.60) ALDH1A1PDK1GLRA1
SCHEMBL23169396 0.65 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHTTCYP1A2

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-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
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

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 ALDH1A1 2476/4885KDM4E 3250/4885PDK1 60/4885

“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.