SCHEMBL4295776

SCHEMBL4295776

CC1(C)OC[C@@H](Cn2ccc(NC(=O)CC(C3CCCC3)n3ncc(On4nnc5ccccc54)cc3=O)n2)O1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
SYK P43405 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1063205 0.87 GCK (0.37) POLBALOX15TMEM97SIGMAR1
SCHEMBL1063206 0.87 GCK (0.37) POLBALOX15TMEM97SIGMAR1
SCHEMBL1083004 0.85 TMEM97 (0.31) CACNA1GCACNA1HCACNA1ITMEM97SIGMAR1
SCHEMBL4288640 0.72 GCK (0.39)
SCHEMBL4294502 0.72 GCK (0.39)
SCHEMBL4297759 0.71 GCK (0.38)
SCHEMBL4291391 0.71 GCK (0.38)
SCHEMBL4288950 0.70 GCK (0.36)
SCHEMBL4297773 0.70 GCK (0.36)
SCHEMBL1082969 0.70 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ITMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CACNA1G 4277/4885CACNA1H 4512/4885CACNA1I 3922/4885

“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.