SCHEMBL30745659

SCHEMBL30745659

O=C(NC1CCC(F)(F)CC1)c1ccnc(Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 2/20 0.52
KCNN2 Q9H2S1 2/20 0.52
KCNN3 Q9UGI6 2/20 0.52
SLC2A1 P11166 3/20 0.51
MECP2 P51608 1/20 0.50
MBD2 Q9UBB5 1/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
ADORA3 P0DMS8 5/20 0.47
KDM4A O75164 3/20 0.47
KDM4B O94953 3/20 0.47
KDM5B Q9UGL1 3/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CSNK2A1 P68400 1/20 0.46
GRM1 Q13255 1/20 0.46

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
SCHEMBL24358276 1.00 KCNN1 (0.52) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL24358259 0.92 KCNN1 (0.58) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL30745673 0.92 KCNN1 (0.58) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL30745703 0.90 KCNN1 (0.56) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL24358274 0.90 KCNN1 (0.56) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL24358277 0.87 KCNN1 (0.51) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL30745690 0.87 KCNN1 (0.51) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL24358254 0.83 KCNN1 (0.54) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL30745764 0.83 KCNN1 (0.54) KCNN1KCNN2KCNN3SLC2A1MECP2
SCHEMBL24358281 0.81 KCNN1 (0.56) KCNN1KCNN2KCNN3SLC2A1MECP2

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 KCNN1 4605/4885KCNN2 4592/4885KCNN3 4470/4885

“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.