SCHEMBL5358359

SCHEMBL5358359

Nc1ncnc2nc(C(=O)NCP(=O)(O)OCCc3ccccc3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PI4KA P42356 4/20 0.45
PI4K2B Q8TCG2 4/20 0.45
PI4K2A Q9BTU6 4/20 0.45
PI4KB Q9UBF8 4/20 0.45
FBP1 P09467 3/20 0.42
LMNA P02545 1/20 0.42
PRMT5 O14744 1/20 0.41
CYP3A4 P08684 1/20 0.38
APEX1 P27695 1/20 0.37
MMP13 P45452 1/20 0.36
DNMT3B Q9UBC3 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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 0.80 PI4KA (0.56) ALDH1A1NPSR1PI4KAPI4K2BPI4K2A
SCHEMBL5357687 0.70 FPR2 (0.35) ALDH1A1FBP1LMNA
SCHEMBL870861 0.65 PI4KA (0.62) ALDH1A1NPSR1PI4KAPI4K2BPI4K2A
SCHEMBL5369925 0.62 PI4KA (0.48) ALDH1A1NPSR1PI4KAPI4K2BPI4K2A
Edetic Acid SCHEMBL7770900 0.62 PI4KA (0.48) ALDH1A1NPSR1PI4KAPI4K2BPI4K2A
SCHEMBL25308000 0.61 TSHR (0.55) ALDH1A1
SCHEMBL11126525 0.60 CETP (0.47) ALDH1A1
SCHEMBL14778450 0.60 CSF1R (0.65) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL27924143 0.60 TSHR (0.50) ALDH1A1LMNACYP3A4PKM
SCHEMBL1319783 0.59 TSHR (0.64)

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 4 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

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 ALDH1A1 429/4885NPSR1 2076/4885PI4KA 1738/4885

“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.