SCHEMBL10124460

SCHEMBL10124460

N#CCS/C(=N\C#N)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
MGLL Q99685 2/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
FAAH O00519 1/20 0.36
PHGDH O43175 1/20 0.36
ALDH2 P05091 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL725331 0.77 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL725332 0.77 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL11696937 0.70 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL11696944 0.70 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL13073647 0.69 CA12 (0.37) ALDH1A1KDM4EMAPTMGLLPDK1
SCHEMBL7963478 0.67 LMNA (0.53) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL11653717 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL13545058 0.67 HTT (0.38) ALDH1A1KDM4EHTTMGLLPDK1
SCHEMBL11653715 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHTTMGLL
SCHEMBL2760089 0.63 HTT (0.50) ALDH1A1KDM4EMAPTHTTMGLL

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 4 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
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 ALDH1A1 2476/4885KDM4E 3250/4885MAPT 3699/4885

“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.