SCHEMBL4865501

SCHEMBL4865501

C1COCO1.Ic1ncnc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.49
MAPK1 P28482 2/20 0.49
CHEK1 O14757 2/20 0.49
PAK1 Q13153 2/20 0.49
LMNA P02545 4/20 0.44
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
LRRK2 Q5S007 2/20 0.44
DRD3 P35462 1/20 0.44
XDH P47989 1/20 0.44
G6PD P11413 1/20 0.43
HTT P42858 6/20 0.41
TP53 P04637 2/20 0.41
CDK2 P24941 2/20 0.41
AURKA O14965 1/20 0.41
CHEK2 O96017 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL532632 0.86 PI4KA (0.57) PDPK1MAPK1CHEK1PAK1LMNA
Adenine SCHEMBL28757891 0.80 LMNA (0.73) PDPK1MAPK1CHEK1PAK1LMNA
SCHEMBL130821 0.80 PDPK1 (0.49) PDPK1MAPK1CHEK1PAK1LMNA
Mercaptopurine Anhydrous SCHEMBL31379732 0.69 LMNA (0.55) PDPK1MAPK1CHEK1PAK1LMNA
Purine SCHEMBL1705518 0.68 ALDH1A1 (0.37) PDPK1MAPK1CHEK1PAK1LMNA
Mercaptopurine Anhydrous SCHEMBL29684795 0.66 LMNA (0.57) PDPK1MAPK1CHEK1PAK1LMNA
SCHEMBL29692456 0.66 LMNA (0.57) PDPK1MAPK1CHEK1PAK1LMNA
Mercaptopurine Anhydrous SCHEMBL8844 0.66 LMNA (0.57) PDPK1MAPK1CHEK1PAK1LMNA
SCHEMBL336613 0.66 MAPK1 (1.00) PDPK1MAPK1CHEK1PAK1LMNA
2,6-Diaminopurine SCHEMBL2140437 0.66 PDPK1 (0.74) PDPK1LMNAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442813-B2 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC. (CA) 2008-10-28 US disclosed
US-20070197784-A1 Process for producing dioxolane nucleoside analogues TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
US-20050085638-A1 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC (CA) 2005-04-21 US disclosed
EP-1467990-A1 PROCESS FOR PRODUCING DIOXOLANE NUCLEOSIDE ANALOGUES Shire Biochem Inc. (CA) 2004-10-20 EP disclosed
WO-2003062229-A1 PROCESS FOR PRODUCING DIOXOLANE NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2003-07-31 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 (2 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-20050085638-A1 Process for producing dioxolane nucleoside analogues NUDT1, DPYD, DUT PDPK1 648/4885MAPK1 902/4885CHEK1 2207/4885
US-20070197784-A1 Process for producing dioxolane nucleoside analogues NUDT1, DPYD, DUT PDPK1 648/4885MAPK1 902/4885CHEK1 2207/4885

“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.