SCHEMBL838726

SCHEMBL838726

Oc1ncnc2c1cnn2-c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.44
KCNH2 Q12809 1/20 0.44
XDH P47989 1/20 0.41
SLC2A1 P11166 6/20 0.41
SLC2A2 P11168 6/20 0.41
SLC2A3 P11169 6/20 0.41
CYP17A1 P05093 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PI4KA P42356 1/20 0.40
KMT2A Q03164 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL838396 0.84 GCK (0.42) GCKKCNH2XDHSLC2A1SLC2A2
SCHEMBL12000897 0.82 SLC2A1 (0.53) SLC2A1SLC2A2SLC2A3ALDH1A1KDM4E
SCHEMBL849766 0.79 MAPT (0.46) XDHSLC2A1SLC2A2SLC2A3ALDH1A1
SCHEMBL878705 0.79 GCK (0.47) GCKKCNH2SLC2A1SLC2A2SLC2A3
SCHEMBL839707 0.79 MAPT (0.48) GCKKCNH2XDHSLC2A1SLC2A2
SCHEMBL30132097 0.76 SLC2A1 (0.41) GCKSLC2A1SLC2A2SLC2A3ALDH1A1
SCHEMBL369066 0.76 CYP17A1 (0.45) GCKKCNH2SLC2A1SLC2A2SLC2A3
SCHEMBL838206 0.76 SLC2A1 (0.56) XDHSLC2A1SLC2A2SLC2A3ALDH1A1
SCHEMBL6205196 0.76 SLC2A1 (0.65) SLC2A1SLC2A2SLC2A3CYP17A1KDM4E
SCHEMBL10187549 0.75 CYP17A1 (0.43) GCKKCNH2SLC2A1SLC2A2SLC2A3

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
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
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 GCK 1/4885KCNH2 1438/4885XDH 788/4885

“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.