SCHEMBL5468655

SCHEMBL5468655

CCCCCCCC(=O)c1nc(N)c2[nH]cnc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
XDH P47989 7/20 0.45
POLA1 P09884 1/20 0.45
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
PIN1 Q13526 1/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MGMT P16455 2/20 0.41
ADORA2B P29275 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL28863081 1.00 CDK1 (0.48) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9393667 0.89 PDPK1 (0.49) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29424580 0.82 XDH (0.44) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5468651 0.80 XDH (0.41) XDHADORA2B
SCHEMBL6899619 0.79 POLA1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29424586 0.77 FAAH (0.43)
SCHEMBL3630347 0.76 GDA (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10528232 0.74 XDH (0.60) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1684049 0.74 GDA (0.58) CDK2XDHPOLA1PDPK1GDA
SCHEMBL29509029 0.74 GDA (0.58) CDK2XDHPOLA1PDPK1GDA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017164615-A1 METHOD FOR PREPARING 3'-AMINO-2',3'-DIDEOXYADENOSINE BY USING NUCLEOSIDE PHOSPHORYLASE DERIVED FROM BACILLUS ST PHARM CO., LTD. (KR) 2017-09-28 WO disclosed
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
US-4145531-A Process for producing 2'-substituted-D-ribofuranosyl purine compounds MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1979-03-20 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 1757/4885CCNB1 2176/4885CCNA2 2555/4885

“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.