Cyanide

Cyanide

SCHEMBL22130311

C#N.C#N.Cn1ncc2cc(C=NN)ccc21

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.55
▸ CLK1 P49759 5/20 0.40
▸ DYRK1A Q13627 5/20 0.40
▸ CLK4 Q9HAZ1 5/20 0.40
▸ DYRK1B Q9Y463 5/20 0.40
▸ DYRK3 O43781 3/20 0.40
▸ CLK3 P49761 3/20 0.40
▸ DYRK2 Q92630 3/20 0.40
▸ DYRK4 Q9NR20 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ ESR1 P03372 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ TCF7 P36402 1/20 0.36
▸ TRPM5 Q9NZQ8 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ SRC P12931 2/20 0.36
▸ AR P10275 2/20 0.35
▸ APP P05067 1/20 0.34

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 SCHEMBL22130238 0.88 MAOB (0.43) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL14953326 0.77 MAOB (0.45) MAOB
Cyanide SCHEMBL22130322 0.76 CYP2A6 (0.57) MAOBDYRK1ADYRK1BSRC
SCHEMBL18911976 0.74 MAOB (0.52) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL29569628 0.74 CYP2A6 (0.54) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL1163509 0.74 CYP2A6 (0.54) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL22079051 0.72 MAOB (0.51) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL22079057 0.72 MAOB (0.51) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL6339540 0.72 MAOB (0.47) MAOBCLK1DYRK1ACLK4DYRK1B
SCHEMBL17312035 0.71 MAOB (1.00) MAOBCLK1DYRK1ACLK4DYRK1B

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 MAOB 23/4885CLK1 3775/4885DYRK1A 3095/4885

“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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