SCHEMBL1010867

SCHEMBL1010867

O=C(O)C(CC1CCCCC1)n1ncc(Oc2ccc(OC(F)(F)F)cc2Cl)c(Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.37
DRD3 P35462 1/20 0.37
DDR1 Q08345 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SMURF1 Q9HCE7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MCHR1 Q99705 1/20 0.34
ACACB O00763 1/20 0.34
P2RX3 P56373 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL1009452 0.87 FFAR4 (0.38) FFAR4DRD3DDR1MRGPRX4KDM4E
SCHEMBL1061869 0.82 GCK (0.38) DDR1SMURF1MCHR1
SCHEMBL1008644 0.82 NPY5R (0.39) ALDH1A1MCHR1
SCHEMBL1008176 0.76 NPBWR1 (0.41) POLBACACB
SCHEMBL1008300 0.75 GCK (0.36) ALDH1A1
SCHEMBL12085249 0.73 GCK (0.43)
SCHEMBL1008619 0.71 FFAR1 (0.38)
SCHEMBL4297457 0.71 GCK (0.39) MCHR1
SCHEMBL1008584 0.69 HIF1A (0.36) KDM4EALDH1A1
SCHEMBL1009040 0.68 GCK (0.35) ALDH1A1P2RX3

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 9 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
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
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK FFAR4 1895/4885DRD3 3990/4885DDR1 4360/4885

“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.