SCHEMBL27284697

SCHEMBL27284697

N#Cc1[nH]c(=O)[nH]c1C#N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
UPP1 Q16831 1/20 0.31
IDH1 O75874 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL10933269 0.80 DAO (0.40) DPYDMEN1KMT2AUPP1
Water SCHEMBL7070154 0.78 IDH1 (0.41) DPYDIDH1CSNK2A2CSNK2BCSNK2A1
Water SCHEMBL27941642 0.73 IDH1 (0.39) DPYDIDH1CSNK2A2CSNK2BCSNK2A1
Water SCHEMBL28334606 0.73 IDH1 (0.39) DPYDIDH1CSNK2A2CSNK2BCSNK2A1
SCHEMBL30107638 0.73
SCHEMBL16167222 0.71 MEN1 (0.41) DPYDMEN1KMT2A
SCHEMBL1977724 0.69 IDH1 (0.41) IDH1CSNK2A2CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL546607 0.69 IDH1 (0.41) IDH1CSNK2A2CSNK2BCSNK2A1
SCHEMBL9402152 0.69 IDH1 (0.41) IDH1CSNK2A2CSNK2BCSNK2A1
SCHEMBL28045341 0.69 IDH1 (0.41) IDH1CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018000-B2 Lithium salts of cyano-substituted imidazole for lithium ion batteries HYDRO-QUéBEC (CA) 2024-06-25 US 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-12018000-B2 Lithium salts of cyano-substituted imidazole for lithium ion batteries HCN2, HCN3, HLCS DPYD 1286/4885MEN1 1916/4885KMT2A 2126/4885

“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.