SCHEMBL1062095

SCHEMBL1062095

CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)n1ncc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.32
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 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
SCHEMBL1064095 1.00 GCK (0.32) GCKCACNA1GCACNA1HCACNA1I
SCHEMBL1062955 1.00 GCK (0.32) GCKCACNA1GCACNA1HCACNA1I
SCHEMBL1062884 0.92 GCK (0.31) GCK
SCHEMBL4288515 0.90 STIM1 (0.33) GCK
SCHEMBL4288522 0.90 STIM1 (0.33) GCK
SCHEMBL1063209 0.90 GCK (0.39) GCKCACNA1GCACNA1HCACNA1I
SCHEMBL1064565 0.90 GCK (0.39) GCKCACNA1GCACNA1HCACNA1I
SCHEMBL1064873 0.90 GCK (0.39) GCKCACNA1GCACNA1HCACNA1I
SCHEMBL1081198 0.89 ALDH1A1 (0.31) GCK
SCHEMBL1064939 0.87 MDM2 (0.33) GCKCACNA1GCACNA1HCACNA1I

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-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP 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 GCK 1/4885CACNA1G 4277/4885CACNA1H 4512/4885

“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.