SCHEMBL5480031

SCHEMBL5480031

Nc1nc(N[C@H]2C[C@H](N)[C@@H](CO)O2)c2[nH]cnc2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.43
▸ NUDT1 P36639 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ PRKACA P17612 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ GDA Q9Y2T3 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39

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
SCHEMBL7661702 0.89 BRAF (0.43) BRAFNUDT1CDK1PRKACAHDAC1
SCHEMBL5474432 0.78 CDK1 (0.42) BRAFNUDT1CDK1PRKACAHDAC1
SCHEMBL5472025 0.78 CDK1 (0.42) BRAFNUDT1CDK1PRKACAHDAC1
SCHEMBL133157 0.71 LMNA (0.54) BRAFNUDT1CDK1PDPK1GDA
SCHEMBL7621600 0.69 LMNA (0.62) CDK1PDPK1GDA
SCHEMBL7626878 0.69 LMNA (0.58) CDK1PDPK1GDA
2,6-Diaminopurine SCHEMBL7801065 0.69 PDPK1 (0.55) CDK1PDPK1GDA
SCHEMBL3396378 0.69 PDPK1 (0.61) BRAFNUDT1CDK1PRKACAPDPK1
SCHEMBL797051 0.68 LMNA (0.63) CDK1
SCHEMBL2938906 0.68 PDPK1 (0.59) BRAFNUDT1CDK1PRKACAHDAC1

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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties METKINEN OY (FI) 2007-03-22 — — 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-20070065922-A1 Biocatalytic synthesis of aminodeoxy purine N9-beta-D-nucleosides containing 3-amino-3-deoxy-beta-D-ribofuranose, 3-amino-2,3-dideoxy-beta-D-ribofuranose, and 2-amino-2-deoxy-beta-D-ribofuranose as sugar moieties DUT, UNG, GALE BRAF 2221/4885NUDT1 81/4885CDK1 1757/4885

“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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