SCHEMBL12724281

SCHEMBL12724281

CCn1cnc2c(NN)nc(NN)nc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 17/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ TMIGD3 P0DMS9 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ PRKCA P17252 5/20 0.46
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL12724436 0.83 CDK1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL13708308 0.79 CDK1 (0.49) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL29141662 0.78 ADORA2A (0.63) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12702590 0.75 PI4KA (0.44) CDK1CCNE1CDK2ADORA2AADORA1
SCHEMBL25231114 0.74 STAT3 (0.49) CDK1CCNB1CCNE1CDK2
SCHEMBL5839632 0.74 CDK1 (0.71) CDK1CCNB1CCNE1CDK2PRKCA
SCHEMBL26036734 0.72 CDK1 (0.67) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL8767031 0.70 CCNE1 (1.00) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL5842067 0.69 CDK1 (0.84) CDK1ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL15354451 0.69 CDK1 (0.73) CDK1CCNB1CCNE1CDK2ADORA2A

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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 — — 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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR CDK1 1040/4885CCNB1 1212/4885CCNE1 1585/4885

“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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