SCHEMBL3421178

SCHEMBL3421178

COC(F)C(P)Cn1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.59
ADORA1 P30542 4/20 0.59
AHCY P23526 5/20 0.58
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
ADORA2B P29275 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.51
NSD3 Q9BZ95 2/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NSD2 O96028 1/20 0.46

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
SCHEMBL336404 0.86 ADORA2A (0.65) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL886940 0.85 ADORA2A (0.63) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL1249908 0.81 ADORA2A (0.69) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL10015788 0.81 ADORA2A (0.69) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL10878427 0.81 ADORA2A (0.65) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL599463 0.80 ADORA2A (0.60) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL13394189 0.78 ADORA2A (0.76) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL14963614 0.78 ADORA2A (0.76) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL16578129 0.77 ADORA2A (0.71) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL2554686 0.77 ADORA2A (0.71) ADORA2AADORA1AHCYPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532157-A4 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES METABASIS THERAPEUTICS INC (US) 2009-02-25 EP claimed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US claimed
EP-1532157-A2 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES Metabasis Therapeutics, Inc. (US) 2005-05-25 EP claimed
WO-2004037161-A2 CYCLIC PRODRUGS OF PMEA ONE OF ITS ANALOGUES METABASIS THERAPEUTICS, INC. (US) 2004-05-06 WO claimed
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. 2003-12-11 US claimed
EP-2223927-A2 Cyclic phosphonic acid based prodrugs of PMEA and its analogues Metabasis Therapeutics, Inc. (US) 2010-09-01 EP disclosed
EP-1532157-A4 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES METABASIS THERAPEUTICS INC (US) 2009-02-25 EP disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
EP-1532157-A2 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES Metabasis Therapeutics, Inc. (US) 2005-05-25 EP disclosed
WO-2004037161-A3 CYCLIC PRODRUGS OF PMEA ONE OF ITS ANALOGUES METABASIS THERAPEUTICS INC (US) 2005-03-31 WO disclosed
WO-2004037161-A2 CYCLIC PRODRUGS OF PMEA ONE OF ITS ANALOGUES METABASIS THERAPEUTICS, INC. (US) 2004-05-06 WO disclosed
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. 2003-12-11 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-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues MTAP, PNP, MPO ADORA2A 128/4885ADORA1 270/4885AHCY 1461/4885

“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.