SCHEMBL13951638

SCHEMBL13951638

Nc1nc(N)c2ncn(CO[C@H](CO)C(O)CF)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ CDK1 P06493 3/20 0.48
▸ CCNB1 P14635 3/20 0.48
▸ BLM P54132 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ AHCY P23526 5/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ PDE3A Q14432 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL10642386 0.92 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1BLM
SCHEMBL10643609 0.86 CCNE1 (0.50) CCNE1CDK2CDK1CCNB1BLM
SCHEMBL14139510 0.85 AHCY (0.56) ALDH1A1AHCYADORA2AADORA1
SCHEMBL13951500 0.84 CDK1 (0.42) CCNE1CDK2CDK1CCNB1BLM
SCHEMBL9123481 0.81 BLM (0.62) CCNE1CDK2CDK1CCNB1BLM
SCHEMBL14393416 0.81 BLM (0.45) CCNE1CDK2CDK1CCNB1BLM
SCHEMBL13625720 0.81 BLM (0.45) CCNE1CDK2CDK1CCNB1BLM
Ammonia Solution, Strong SCHEMBL10907047 0.80 BLM (0.60) CCNE1CDK2CDK1CCNB1BLM
SCHEMBL13951250 0.80 BLM (0.71) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL24829634 0.77 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1ALDH1A1

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-20090036666-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES PHARMASSET, INC. (US) 2009-02-05 — — 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-20090036666-A1 MODIFIED FLUORINATED NUCLEOSIDE ANALOGUES NSUN2, NT5C3B, METTL3 CCNE1 4322/4885CDK2 2548/4885CDK1 3858/4885

“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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