Cyanide

Cyanide

SCHEMBL25404967

C#N.C#N.CCn1c(=O)n(C(C)C)c2ncc(C=NN)cc21

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.35
▸ LITAF Q99732 1/20 0.35
▸ HPD P32754 2/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ 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
Cyanide SCHEMBL25408005 0.91 PDE4B (0.33) PTGER4PDE4BALDH1A1
Cyanide SCHEMBL25406203 0.86 ADORA2B (0.39) HPDPDE4BALDH1A1
Cyanide SCHEMBL25439614 0.85 PTGER4 (0.32) PTGER4PDE4B
Cyanide SCHEMBL25406280 0.82 HSD17B10 (0.38) HPD
Cyanide SCHEMBL25406456 0.81 HPD (0.46) HPDALDH1A1
Cyanide SCHEMBL25406638 0.79 PDE4B (0.34) TNFLITAFPDE4B
SCHEMBL30349743 0.77 ALDH1A1 (0.44) TNFLITAFHPDPTGER4PDE4B
SCHEMBL25408308 0.77 ALDH1A1 (0.44) TNFLITAFHPDPTGER4PDE4B
Cyanide SCHEMBL25404661 0.76 HSD17B10 (0.37) —
Cyanide SCHEMBL25405734 0.75 ALDH1A1 (0.39) HPDALDH1A1

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-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 — — 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-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT TNF 4793/4885LITAF 2991/4885HPD 888/4885

“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.

Send feedback