SCHEMBL838296

SCHEMBL838296

COc1ccccc1-n1ncc2c(S)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 17/20 0.66
SLC2A3 P11169 17/20 0.66
SLC2A2 P11168 11/20 0.66
GSK3B P49841 1/20 0.55
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP17A1 P05093 1/20 0.54
CYP1A2 P05177 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL838951 0.85 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL6205196 0.85 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL6224888 0.82 GSK3B (0.62) SLC2A1SLC2A3SLC2A2GSK3BMAPT
Hydrochloric Acid SCHEMBL6205326 0.81 GSK3B (0.61) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL8344599 0.80 SLC2A1 (0.58) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL839270 0.78 GCK (0.46) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL15105528 0.77 CYP17A1 (0.62) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL839071 0.73 ALDH1A1 (0.52) SLC2A1SLC2A3SLC2A2MAPTKDM4E
SCHEMBL15105690 0.73 CYP17A1 (0.57) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL8339901 0.72 GSK3B (1.00) GSK3B

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
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
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

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.