Cyanide

Cyanide

SCHEMBL22130248

C#N.C#N.NN=Cc1ccc2[nH]ccc2c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.57
▸ GRIN3B O60391 1/20 0.57
▸ GRIN1 Q05586 1/20 0.57
▸ GRIN2A Q12879 1/20 0.57
▸ GRIN2B Q13224 1/20 0.57
▸ GRIN2C Q14957 1/20 0.57
▸ GRIN3A Q8TCU5 1/20 0.57
▸ CYP2A6 P11509 3/20 0.54
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ AHR P35869 3/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ F7 P08709 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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 SCHEMBL22130249 0.88 NPC1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15928034 0.80 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6845644 0.77 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13263864 0.77 CYP2A6 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6845647 0.77 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cyanide SCHEMBL25405038 0.76 CA12 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cyanide SCHEMBL25407293 0.75 PARP1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cyanide SCHEMBL22130314 0.74 MAOB (0.53) MAPTALDH1A1GAAKDRRAB9A
SCHEMBL28202524 0.74 CYP2A6 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7340149 0.73 MAOA (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US claimed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP claimed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — WO claimed
US-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — US disclosed
EP-3901139-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-10-27 — — EP disclosed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 — — WO 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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT GRIN2D 1079/4885GRIN3B 615/4885GRIN1 1119/4885

“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.

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