SCHEMBL1065304

SCHEMBL1065304

CCC(CC)CC(C(=O)Nc1ccn(CCO)n1)n1ncc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.38
RAF1 P04049 1/20 0.31
EGFR P00533 1/20 0.31
ELOVL1 Q9BW60 1/20 0.30
STIM1 Q13586 1/20 0.30
ORAI1 Q96D31 1/20 0.30
IDH2 P48735 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 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
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
F11 P03951 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
SCHEMBL1064873 0.92 GCK (0.39) GCKRAF1EGFRSTIM1ORAI1
SCHEMBL1063209 0.92 GCK (0.39) GCKRAF1EGFRSTIM1ORAI1
SCHEMBL1064565 0.92 GCK (0.39) GCKRAF1EGFRSTIM1ORAI1
SCHEMBL1063139 0.91 MDM2 (0.34) GCKRAF1STIM1ORAI1
SCHEMBL1062884 0.90 GCK (0.31) GCKALDH1A1MAPTHPGD
SCHEMBL4294550 0.88 GCK (0.40) GCKEGFRSTIM1ORAI1NPC1
SCHEMBL4289059 0.87 HDAC8 (0.40) GCKNPC1LMNAHTTRAB9A
SCHEMBL4291038 0.85 GCK (0.50) GCK
SCHEMBL4290470 0.85 GCK (0.50) GCK
SCHEMBL4297570 0.85 GCK (0.50) GCK

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 claimed
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 1/4885RAF1 634/4885EGFR 4468/4885

“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.