SCHEMBL5358044

SCHEMBL5358044

Nc1ncnc2nc(NCCP(=O)(O)OCCC3CCCCC3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
FBP1 P09467 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
SCD O00767 1/20 0.32
ENPP1 P22413 2/20 0.32
MTAP Q13126 1/20 0.31

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
SCHEMBL5365767 0.81 ALDH1A1 (0.48) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4956448 0.79 CDK1 (0.37) PI4KAPI4K2BPI4K2API4KBCDK1
SCHEMBL6346446 0.79 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBCDK1
SCHEMBL5361209 0.77 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL5373083 0.74 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBCDK1
SCHEMBL5369925 0.73 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL8583481 0.68 PKM (0.47) FBP1ALDH1A1HSD17B10HTTTSHR
SCHEMBL29711624 0.68 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBCCNA2
SCHEMBL5358053 0.64 FBP1 (0.64) FBP1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL778793 0.63 CYP1A2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 PI4KA 1738/4885PI4K2B 1456/4885PI4K2A 1821/4885

“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.