Cyanide

Cyanide

SCHEMBL22130167

C#N.C#N.NN=Cc1ccc2scnc2c1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 8/20 0.38
▸ CLK4 Q9HAZ1 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTK6 Q13882 2/20 0.38
▸ CLK1 P49759 4/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ MAOB P27338 1/20 0.34
▸ RIPK3 Q9Y572 3/20 0.34
▸ RIPK1 Q13546 2/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ DYRK2 Q92630 4/20 0.32
▸ DYRK1B Q9Y463 4/20 0.32
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2B P67870 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32

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 SCHEMBL22130098 0.88 DYRK1A (0.43) DYRK1ACLK4CLK1CLK2DYRK2
Cyanide SCHEMBL22130131 0.80 DYRK1A (0.51) DYRK1ACLK4CLK1CLK2RIPK1
SCHEMBL16693063 0.79 ALDH1A1 (0.41) DYRK1ACLK4ALDH1A1HSD17B10PTK6
SCHEMBL27362369 0.73 ALDH1A1 (0.45) DYRK1ACLK4ALDH1A1HSD17B10CLK1
SCHEMBL7218395 0.73 ALDH1A1 (0.45) DYRK1ACLK4ALDH1A1HSD17B10PTK6
SCHEMBL25913593 0.70 DYRK1A (0.36) DYRK1ACLK4ALDH1A1HSD17B10PTK6
SCHEMBL30522981 0.70 DYRK1A (0.36) DYRK1ACLK4ALDH1A1HSD17B10PTK6
SCHEMBL8039455 0.69 ALDH1A1 (0.50) ALDH1A1HSD17B10MAOBRIPK3RIPK1
SCHEMBL8039453 0.69 ALDH1A1 (0.50) ALDH1A1HSD17B10MAOBRIPK3RIPK1
SCHEMBL1850868 0.68 NFE2L2 (0.44) DYRK1ACLK4ALDH1A1HSD17B10CLK1

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 DYRK1A 3095/4885CLK4 2137/4885ALDH1A1 402/4885

“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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