SCHEMBL23027205

SCHEMBL23027205

Cn1cnc2c(O)nc(F)nc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.42
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
YTHDC1 Q96MU7 2/20 0.40
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
AHCY P23526 1/20 0.35
MAPK14 Q16539 3/20 0.34
CDK5 Q00535 1/20 0.33

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
SCHEMBL6368852 0.81 CDK1 (0.44) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL27392700 0.79 CDK1 (0.43) CDK1CCNB1CCNE1CDK2PDE4A
9-Methylguanine SCHEMBL2787045 0.78 CDK1 (0.59) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL16750272 0.78 AHCY (0.38) AHCY
SCHEMBL20656164 0.77 CDK2 (0.49) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL25665533 0.75 PDE4A (0.49) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL21128173 0.75 CDK1 (0.40) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL13828347 0.75 CDK1 (0.43) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL19978921 0.75 CDK1 (0.40) CDK1CCNB1CCNE1CDK2PDE4A
SCHEMBL13828319 0.75 YTHDC1 (0.66) CDK2PDE4APDE4BPDE4CPDE4D

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-20210052721-A1 HEPATITIS C VIRUS PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2021-02-25 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-20210052721-A1 HEPATITIS C VIRUS PEPTIDE COMPOSITIONS AND METHODS OF USE THEREOF HLA-DRB1, CD4, HLA-C CDK1 2299/4885CCNB1 1346/4885CCNE1 394/4885

“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.