SCHEMBL26036734

SCHEMBL26036734

CCn1cnc2c(NC)nc(N)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.67
CCNB1 P14635 3/20 0.67
CCNE1 P24864 3/20 0.67
CDK2 P24941 3/20 0.67
ADORA1 P30542 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
YTHDC1 Q96MU7 7/20 0.48
ADORA2A P29274 1/20 0.47
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
ADORA2B P29275 1/20 0.44
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43

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
SCHEMBL13751696 0.81 CDK1 (0.58) CDK1CCNB1CCNE1CDK2PDE4D
SCHEMBL10076896 0.81 CDK1 (0.58) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL8767031 0.80 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL19829082 0.79 CCNE1 (0.73) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL13828378 0.79 YTHDC1 (0.66) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL27854926 0.78 CDK1 (0.71) CDK1CCNB1CCNE1CDK2
SCHEMBL17860490 0.78 CCNE1 (0.71) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL9582915 0.77 MEN1 (0.56) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL9739894 0.77 AXL (0.64) ADORA1YTHDC1ADORA2APDE4APDE4B
SCHEMBL9739023 0.76 PDE4A (0.72) ADORA1YTHDC1ADORA2APDE4APDE4B

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-11738038-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-08-29 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-11738038-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP CDK1 1126/4885CCNB1 3082/4885CCNE1 3249/4885

“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.