SCHEMBL5747952

SCHEMBL5747952

COc1ccc2ncc(Cl)c(CCN3CC[C@@H](N)[C@@H](O)C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.46
KCNH2 Q12809 10/20 0.44
CIT O14578 1/20 0.41
CHEK1 O14757 1/20 0.41
GAK O14976 1/20 0.41
STK10 O94804 1/20 0.41
PRKD3 O94806 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
PHKG2 P15735 1/20 0.41
PRKCA P17252 1/20 0.41
PRKACA P17612 1/20 0.41
CSNK2A2 P19784 1/20 0.41

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
SCHEMBL5746855 1.00 SLC2A1 (0.46) SLC2A1KCNH2CITCHEK1GAK
SCHEMBL5746857 1.00 SLC2A1 (0.46) SLC2A1KCNH2CITCHEK1GAK
SCHEMBL5747963 1.00 SLC2A1 (0.46) SLC2A1KCNH2CITCHEK1GAK
SCHEMBL5746846 1.00 SLC2A1 (0.46) SLC2A1KCNH2CITCHEK1GAK
Dioxane SCHEMBL5745626 0.95 SLC2A1 (0.46) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL5745623 0.93 SLC2A1 (0.45) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL5746969 0.87 KCNH2 (0.42) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL5746970 0.87 KCNH2 (0.42) SLC2A1KCNH2
SCHEMBL6080374 0.87 SSTR2 (0.37) SLC2A1KCNH2HTR1A
SCHEMBL5744249 0.86 KCNH2 (0.49) SLC2A1KCNH2HTR1ASLC6A4

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-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG SLC2A1 4409/4885KCNH2 3365/4885CIT 2724/4885

“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.