SCHEMBL1064104

SCHEMBL1064104

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.33
GCK P35557 4/20 0.33
STIM1 Q13586 2/20 0.32
ORAI1 Q96D31 2/20 0.32
ROCK2 O75116 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.31
IDO1 P14902 1/20 0.31
NTRK1 P04629 1/20 0.31
CACNA1G O43497 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
SCN9A Q15858 1/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1063059 1.00 MDM2 (0.33) MDM2GCKSTIM1ORAI1ROCK2
SCHEMBL1064939 1.00 MDM2 (0.33) MDM2GCKSTIM1ORAI1ROCK2
SCHEMBL1063139 0.92 MDM2 (0.34) MDM2GCKSTIM1ORAI1ROCK2
SCHEMBL4290692 0.91 STIM1 (0.35) MDM2GCKSTIM1ORAI1ROCK2
SCHEMBL4295913 0.91 STIM1 (0.35) MDM2GCKSTIM1ORAI1ROCK2
SCHEMBL4290688 0.91 STIM1 (0.35) MDM2GCKSTIM1ORAI1ROCK2
SCHEMBL1063209 0.91 GCK (0.39) GCKSTIM1ORAI1ORAI3CACNA1G
SCHEMBL1064565 0.91 GCK (0.39) GCKSTIM1ORAI1ORAI3CACNA1G
SCHEMBL1064873 0.91 GCK (0.39) GCKSTIM1ORAI1ORAI3CACNA1G
SCHEMBL1060470 0.89 HDAC8 (0.39) GCKCACNA1GCACNA1HCACNA1INPC1

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 6 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 claimed
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
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 MDM2 3854/4885GCK 1/4885STIM1 4449/4885

“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.