SCHEMBL23734211

SCHEMBL23734211

O=C(O)c1ccc2cnn(-c3ccccc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KHK P50053 5/20 0.65
PLA2G10 O15496 1/20 0.54
FGFR1 P11362 2/20 0.49
MGLL Q99685 1/20 0.48
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PIM3 Q86V86 4/20 0.46
MAPK1 P28482 1/20 0.45
HPGDS O60760 1/20 0.45
ALKBH2 Q6NS38 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2610311 0.88 MGLL (0.57) KHKPLA2G10FGFR1MGLLNPC1
SCHEMBL3668866 0.83 PLA2G10 (0.67) KHKPLA2G10MGLLNPC1HSP90AA1
SCHEMBL31279982 0.80 KHK (1.00) KHKMGLLMAPK1HPGDS
SCHEMBL23711723 0.80 KHK (1.00) KHKMGLLMAPK1HPGDS
SCHEMBL1667310 0.79 PLA2G10 (0.55) KHKPLA2G10MGLLNPC1HSP90AA1
SCHEMBL31279611 0.78 KHK (1.00) KHKHPGDS
SCHEMBL23711737 0.78 KHK (1.00) KHKHPGDS
SCHEMBL30040852 0.76 SMO (0.49) KHKPLA2G10MGLLMAPK1
SCHEMBL19533612 0.76 MGLL (0.55) KHKPLA2G10FGFR1MGLLNPC1
SCHEMBL9986667 0.76 SMO (0.49) KHKPLA2G10MGLLMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 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-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 KHK 1/4885PLA2G10 4763/4885FGFR1 191/4885

“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.