SCHEMBL5474432

SCHEMBL5474432

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.42
▸ BRAF P15056 9/20 0.41
▸ NUDT1 P36639 1/20 0.41
▸ PRKACA P17612 3/20 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
▸ ADK P55263 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ DPP4 P27487 1/20 0.37

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
SCHEMBL5472025 0.91 CDK1 (0.42) CDK1BRAFNUDT1PRKACAHDAC1
SCHEMBL31529113 0.81 CYP3A4 (0.45) ADKCDK2
SCHEMBL5480031 0.78 BRAF (0.43) CDK1BRAFNUDT1PRKACAHDAC1
SCHEMBL7661702 0.78 BRAF (0.43) CDK1BRAFNUDT1PRKACAHDAC1
SCHEMBL6886938 0.77 XDH (0.48) ADK
SCHEMBL3877450 0.77 ADK (0.43) ADK
SCHEMBL2873813 0.77 ADK (0.43) ADK
2,6-Diaminopurine SCHEMBL6241914 0.72 PDPK1 (0.59) CDK1PDPK1GDACDK2DPP4
2,6-Diaminopurine SCHEMBL2934952 0.72 PDPK1 (0.59) CDK1PDPK1GDACDK2DPP4
2,6-Diaminopurine SCHEMBL10774603 0.72 PDPK1 (0.59) CDK1PDPK1GDACDK2DPP4

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 CDK1 1757/4885BRAF 2221/4885NUDT1 81/4885

“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.

Send feedback