SCHEMBL5369925

SCHEMBL5369925

Nc1ncnc2nc(NCCP(=O)(O)OCc3ccc4ccccc4c3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 5/20 0.48
PI4K2B Q8TCG2 5/20 0.48
PI4K2A Q9BTU6 5/20 0.48
PI4KB Q9UBF8 5/20 0.48
FBP1 P09467 4/20 0.47
PRMT5 O14744 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL6346446 0.82 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL5358044 0.73 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL8333636 0.65 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL15304560 0.65 CYP1A2 (0.47) NPC1MAPT
SCHEMBL2464198 0.64 PIN1 (0.49) NPC1MAPT
SCHEMBL5369934 0.64 FBP1 (1.00) FBP1
SCHEMBL5358359 0.62 ALDH1A1 (0.46) PI4KAPI4K2BPI4K2API4KBFBP1
SCHEMBL2464197 0.61 RAB9A (0.50) NPC1MAPT
SCHEMBL28367074 0.61 TSHR (0.51) NPC1MAPT
SCHEMBL28362740 0.60 TSHR (0.54) NPC1MAPT

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.