SCHEMBL838566

SCHEMBL838566

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.46
SLC2A3 P11169 3/20 0.46
SLC2A2 P11168 2/20 0.46
XDH P47989 1/20 0.42
MAPT P10636 5/20 0.42
GCK P35557 4/20 0.40
KCNH2 Q12809 3/20 0.40
TP53 P04637 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 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
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38

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
SCHEMBL838384 0.93 GCK (0.46) SLC2A1SLC2A3SLC2A2XDHMAPT
SCHEMBL839578 0.85 SLC2A1 (0.56) SLC2A1SLC2A3SLC2A2XDHMAPT
SCHEMBL839999 0.83 SLC2A1 (0.46) SLC2A1SLC2A3SLC2A2XDHMAPT
SCHEMBL839711 0.83 SLC2A1 (0.47) SLC2A1SLC2A3SLC2A2XDHMAPT
SCHEMBL839952 0.81 MAPK14 (0.47) MAPTGCKKCNH2TP53KDM4E
SCHEMBL839168 0.81 GCK (0.47) SLC2A1SLC2A3SLC2A2XDHMAPT
SCHEMBL25342469 0.78 SLC2A1 (0.43) SLC2A1SLC2A3SLC2A2MAPTGCK
SCHEMBL25342878 0.76 TP53 (0.42) SLC2A1SLC2A3SLC2A2XDHMAPT
SCHEMBL878648 0.75 KDM4E (0.43) XDHMAPTTP53KDM4EHSD17B10
SCHEMBL838279 0.75 GCK (0.44) SLC2A1SLC2A3SLC2A2MAPTGCK

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 9 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
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.