SCHEMBL25407722

SCHEMBL25407722

CC(C)n1c(=O)n(C(C)C)c2ncc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 2/20 0.42
▸ PDE4B Q07343 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PGR P06401 2/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ MTOR P42345 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
SCHEMBL30349636 1.00 ADORA2B (0.42) ADORA2BPDE4BTDP1HSD17B10POLB
SCHEMBL25408350 0.90 ADORA2B (0.47) ADORA2BPDE4BHSD17B10HPGDHTT
SCHEMBL30349777 0.90 ADORA2B (0.47) ADORA2BPDE4BHSD17B10HPGDHTT
SCHEMBL25407320 0.89 HSD17B10 (0.46) ADORA2BHSD17B10GSK3BHPGDHTT
SCHEMBL30349827 0.83 KDM4E (0.41) ADORA2BPDE4BADORA2A
SCHEMBL30349743 0.83 ALDH1A1 (0.44) ADORA2BPDE4BADORA2A
SCHEMBL25408308 0.83 ALDH1A1 (0.44) ADORA2BPDE4BADORA2A
SCHEMBL25406873 0.83 KDM4E (0.41) ADORA2BPDE4BADORA2A
SCHEMBL25436149 0.81 PRKDC (0.38) ADORA2BPDE4BATMPIK3CAMTOR
SCHEMBL30349870 0.81 PRKDC (0.38) ADORA2BPDE4BATMPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 — — US disclosed
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 — — US disclosed
EP-4169905-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 — — EP disclosed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 — — CN 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 (2 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-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CLIC1 ADORA2B 1863/4885PDE4B 3150/4885TDP1 2103/4885
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT ADORA2B 3600/4885PDE4B 2231/4885TDP1 2868/4885

“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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