SCHEMBL25406873

SCHEMBL25406873

CCn1c(=O)n(C(C)C)c2cc(N)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ TNF P01375 1/20 0.38
▸ LITAF Q99732 1/20 0.38
▸ ADORA2A P29274 5/20 0.36
▸ ADORA2B P29275 5/20 0.36
▸ HPD P32754 2/20 0.36
▸ PDE4B Q07343 6/20 0.35
▸ PDE4A P27815 4/20 0.35
▸ PDE4C Q08493 4/20 0.35
▸ PDE4D Q08499 4/20 0.35
▸ EEF2K O00418 1/20 0.34
▸ PTGER4 P35408 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCND2 P30279 1/20 0.32
▸ CCND3 P30281 1/20 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
SCHEMBL30349827 1.00 KDM4E (0.41) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL25408308 0.89 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL30349743 0.89 ALDH1A1 (0.44) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL25405423 0.87 KDM4E (0.40) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL25407722 0.83 ADORA2B (0.42) ADORA2AADORA2BPDE4B
SCHEMBL30349636 0.83 ADORA2B (0.42) ADORA2AADORA2BPDE4B
SCHEMBL25407320 0.82 HSD17B10 (0.46) ADORA2BHPD
SCHEMBL30349667 0.81 ADORA2A (0.47) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL25407897 0.81 ADORA2A (0.47) KDM4EALDH1A1GAAMAPTGFER
SCHEMBL30349918 0.79 CYP1A2 (0.47) ALDH1A1MAPTTNFLITAFHPD

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 KDM4E 2552/4885ALDH1A1 592/4885GAA 3006/4885
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT KDM4E 2516/4885ALDH1A1 1343/4885GAA 2829/4885

“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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