SCHEMBL30745709

SCHEMBL30745709

FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.72
SLC2A1 P11166 4/20 0.68
KCNN1 Q92952 2/20 0.67
KCNN2 Q9H2S1 2/20 0.67
KCNN3 Q9UGI6 2/20 0.67
MBD2 Q9UBB5 2/20 0.67
MECP2 P51608 1/20 0.67
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
NFKB1 P19838 4/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
PPP1CA P62136 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NR1I2 O75469 1/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
TP53 P04637 3/20 0.56

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
SCHEMBL6368472 1.00 NPY5R (0.72) NPY5RSLC2A1KCNN1KCNN2KCNN3
SCHEMBL6375655 0.88 SLC2A1 (0.72) NPY5RSLC2A1KCNN1KCNN2KCNN3
Hydrochloric Acid SCHEMBL6368583 0.87 SLC2A1 (0.70) NPY5RSLC2A1KCNN1KCNN2KCNN3
SCHEMBL6372841 0.84 SLC2A1 (0.73) NPY5RSLC2A1KCNN1KCNN2KCNN3
SCHEMBL31126464 0.84 NPY5R (1.00) NPY5RSLC2A1KCNN1KCNN2KCNN3
SCHEMBL24358231 0.83 KCNN1 (0.68) NPY5RSLC2A1KCNN1KCNN2KCNN3
SCHEMBL30745765 0.83 KCNN1 (0.68) NPY5RSLC2A1KCNN1KCNN2KCNN3
SCHEMBL5155715 0.81 KCNN1 (1.00) SLC2A1KCNN1KCNN2KCNN3MBD2
SCHEMBL30745771 0.81 KCNN1 (1.00) SLC2A1KCNN1KCNN2KCNN3MBD2
SCHEMBL6368664 0.81 SLC2A1 (0.73) NPY5RSLC2A1KCNN1KCNN2KCNN3

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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA NPY5R 253/4885SLC2A1 3987/4885KCNN1 4605/4885

“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.