SCHEMBL5368063

SCHEMBL5368063

CC(C)(C)COP(=O)(O)COCc1nc2ncnc(N)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.43
PI4K2B Q8TCG2 4/20 0.43
PI4K2A Q9BTU6 4/20 0.43
PI4KB Q9UBF8 4/20 0.43
NUDT1 P36639 2/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
APEX1 P27695 1/20 0.35
PRMT5 O14744 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
ENPP1 P22413 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
FGFR1 P11362 1/20 0.32
FBP1 P09467 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5447009 0.83 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL4956448 0.80 CDK1 (0.37) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL5373083 0.79 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5368084 0.73 NUDT1 (0.37) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL18757974 0.66 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL27260776 0.64 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL6684462 0.63 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL20399056 0.63 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL5361209 0.62 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBPKM
SCHEMBL9668602 0.62 PI4KA (0.91) PI4KAPI4K2BPI4K2API4KBNUDT1

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.