SCHEMBL1008428

SCHEMBL1008428

O=C(O)C(CC1CCCC1)n1ncc(Oc2cccc(F)c2)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CCR5 P51681 10/20 0.37
FFAR4 Q5NUL3 3/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL1008862 0.91 NPY5R (0.41)
SCHEMBL1009307 0.90 NPY5R (0.43) HRH3BCL2
SCHEMBL1008255 0.88 CTSS (0.39) HRH3
SCHEMBL1008797 0.87 PPARG (0.39) FFAR4PPARGPPARA
SCHEMBL1008514 0.87 LPAR1 (0.38) CCR5
SCHEMBL1008391 0.86 LPAR1 (0.37)
SCHEMBL1008488 0.85 GCK (0.36) CCR5PPARG
SCHEMBL1008076 0.85 BRD4 (0.39)
SCHEMBL1007742 0.85 GPR132 (0.42) ABL1HRH3FFAR4
SCHEMBL1007597 0.85 LPAR1 (0.38) CCR5KCNH2

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 8 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
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 ABL1 3470/4885HRH3 4306/4885CCR5 4613/4885

“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.