SCHEMBL725209

SCHEMBL725209

[2H]C([2H])(O)c1cccc(C(F)(F)F)c1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.42
P2RX7 Q99572 6/20 0.41
CMA1 P23946 4/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
IDO1 P14902 2/20 0.38
CTSS P25774 1/20 0.38
PIK3C2B O00750 1/20 0.37
DHODH Q02127 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL737569 0.85 PDCD1 (0.48) TAS2R14P2RX7CMA1CYP2D6SLC6A2
SCHEMBL10124833 0.81 P2RX7 (0.39) TAS2R14P2RX7CYP2D6SLC6A2SLC6A4
SCHEMBL15532671 0.81 P2RX7 (0.41) TAS2R14P2RX7CMA1CYP2D6SLC6A2
SCHEMBL18753207 0.79 IDO1 (0.41) TAS2R14P2RX7CMA1CYP2D6SLC6A2
SCHEMBL31751977 0.79 GABRA1 (0.46) TAS2R14P2RX7CYP2D6SLC6A2SLC6A4
SCHEMBL11967099 0.79 GABRA1 (0.46) TAS2R14P2RX7CYP2D6SLC6A2SLC6A4
SCHEMBL4550354 0.77 MAOB (0.45) TAS2R14P2RX7CYP2D6SLC6A2SLC6A4
SCHEMBL30513592 0.77 P2RX7 (0.41) TAS2R14P2RX7CMA1CYP2D6SLC6A2
SCHEMBL724189 0.77 P2RX7 (0.41) TAS2R14P2RX7CMA1CYP2D6SLC6A2
SCHEMBL17845893 0.77 P2RX7 (0.42) TAS2R14P2RX7CYP2D6SLC6A2SLC6A4

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 7 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-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
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 TAS2R14 3053/4885P2RX7 1747/4885CMA1 4569/4885

“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.