SCHEMBL839999

SCHEMBL839999

N#Cc1cccc(C#N)c1-n1ncc2c(O)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.46
SLC2A3 P11169 4/20 0.46
SLC2A2 P11168 3/20 0.46
XDH P47989 2/20 0.42
GCK P35557 4/20 0.39
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PI4KA P42356 1/20 0.38
KMT2A Q03164 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MAPT P10636 4/20 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
SCHEMBL839168 0.91 GCK (0.47) SLC2A1SLC2A3SLC2A2XDHGCK
SCHEMBL838206 0.85 SLC2A1 (0.56) SLC2A1SLC2A3SLC2A2XDHKDM4E
SCHEMBL838566 0.83 SLC2A1 (0.46) SLC2A1SLC2A3SLC2A2XDHGCK
SCHEMBL839132 0.83 SLC2A1 (0.47) SLC2A1SLC2A3SLC2A2XDHGCK
SCHEMBL25343285 0.78 SLC2A1 (0.43) SLC2A1SLC2A3SLC2A2XDHGCK
SCHEMBL838736 0.78 ALDH1A1 (0.40) SLC2A1SLC2A3SLC2A2XDHKDM4E
SCHEMBL839501 0.78 MAPK14 (0.48) XDHGCKKCNH2KDM4EALDH1A1
SCHEMBL838384 0.77 GCK (0.46) SLC2A1SLC2A3SLC2A2XDHGCK
SCHEMBL6282033 0.73 ALDH1A1 (0.67) SLC2A1SLC2A3SLC2A2XDHKDM4E
SCHEMBL31337054 0.73 ALDH1A1 (0.67) SLC2A1SLC2A3SLC2A2XDHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 SLC2A1 14/4885SLC2A3 17/4885SLC2A2 22/4885

“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.