SCHEMBL23967494

SCHEMBL23967494

CN(/C=C\N)C(=O)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.34
HTT P42858 2/20 0.33
CYP24A1 Q07973 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18739906 0.80 AHR (0.32) AHRHTTCYP24A1ALDH1A1
SCHEMBL14612984 0.78 AHR (0.30) AHR
SCHEMBL19333898 0.77 CYP24A1 (0.32) AHRCYP24A1
SCHEMBL8045233 0.76 HTT (0.39) AHRHTTCYP24A1MAPTALDH1A1
SCHEMBL22606807 0.74 AHR (0.35) AHRHTTCYP24A1ALDH1A1
Iodomethane SCHEMBL22712578 0.73 AHR (0.37) AHRHTTCYP24A1MAPTALDH1A1
SCHEMBL14825034 0.72 AHR (0.35) AHRHTTCYP24A1MAPTALDH1A1
SCHEMBL165658 0.72 HTT (0.40) AHRHTTALDH1A1
SCHEMBL1171099 0.72 AHR (0.42) AHRHTTALDH1A1
SCHEMBL9913328 0.70 CYP24A1 (0.37) AHRHTTCYP24A1MAPTALDH1A1

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-11161843-B2 Fused heterocyclic compound and composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-11-02 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-11161843-B2 Fused heterocyclic compound and composition containing same C5, C9, NR4A1 AHR 100/4885HTT 1203/4885CYP24A1 251/4885

“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.