SCHEMBL23734278

SCHEMBL23734278

CCc1cn(C(C)CC)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TK1 P04183 1/20 0.37
MET P08581 4/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
DAO P14920 2/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 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
SCHEMBL26550486 0.88 ALDH1A1 (0.44) ALDH1A1CYP2C19SMN1; SMN2TK1MET
SCHEMBL10137841 0.85 SMN1; SMN2 (0.41) ALDH1A1CYP2C19SMN1; SMN2TK1MET
SCHEMBL22381003 0.82 ALDH1A1 (0.43) ALDH1A1CYP2C19SMN1; SMN2TK1DAO
SCHEMBL24235951 0.81 SMN1; SMN2 (0.58) ALDH1A1CYP2C19SMN1; SMN2MET
SCHEMBL4484823 0.81 GAA (0.51) ALDH1A1CYP2C19SMN1; SMN2METGAA
SCHEMBL24564759 0.73 SMN1; SMN2 (0.42) ALDH1A1CYP2C19SMN1; SMN2TK1MET
SCHEMBL22327058 0.72 CYP2C19 (0.37) ALDH1A1CYP2C19SMN1; SMN2METJAK2
SCHEMBL21637955 0.71 SMN1; SMN2 (0.36) ALDH1A1CYP2C19SMN1; SMN2METDAO
SCHEMBL18858876 0.71 MET (0.39) ALDH1A1CYP2C19SMN1; SMN2METDAO
SCHEMBL35260 0.71 SMN1; SMN2 (0.42) CYP2C19SMN1; SMN2TK1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-20230028359-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-26 US disclosed
US-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-08-10 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 (3 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-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis POLRMT, RNGTT, MTR ALDH1A1 3268/4885CYP2C19 3791/4885SMN1; SMN2 4165/4885
US-20230028359-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 ALDH1A1 1313/4885CYP2C19 2483/4885SMN1; SMN2 1787/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 ALDH1A1 1313/4885CYP2C19 2483/4885SMN1; SMN2 1787/4885

“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.