SCHEMBL2526552

SCHEMBL2526552

Fc1nc(F)c2[nH]cnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
GDA Q9Y2T3 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CDK2 P24941 2/20 0.41
DPP4 P27487 1/20 0.41
PNP P00491 1/20 0.40
TNNI3K Q59H18 1/20 0.39
XDH P47989 2/20 0.38
MAP3K5 Q99683 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
LRRK2 Q5S007 1/20 0.36
G6PD P11413 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
SCHEMBL8851 0.79 PDPK1 (0.66) PDPK1GDACDK2DPP4PNP
SCHEMBL356178 0.79 DPP4 (0.61) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL16146695 0.79 PDPK1 (0.41) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL29375265 0.79 PDPK1 (0.66) PDPK1GDACDK2DPP4PNP
SCHEMBL11212991 0.79 PDPK1 (0.41) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL2350025 0.79 GDA (0.41) PDPK1GDAALDH1A1CDK2DPP4
SCHEMBL27823604 0.79 XDH (0.56) PDPK1GDACDK2DPP4XDH
SCHEMBL1336875 0.79 PDPK1 (0.66) PDPK1GDACDK2DPP4MAP3K5
SCHEMBL7670286 0.75 TNNI3K (0.46) GDAALDH1A1DPP4PNPTNNI3K
SCHEMBL9705707 0.75 CDK2 (0.56) PDPK1GDAALDH1A1CDK2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039614-B2 4' -C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2011-10-18 US disclosed
US-7625877-B2 4′-c-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2009-12-01 US disclosed
US-20090234110-A1 4' -C-substituted-2-haloadenosine derivative KOHGO SATORU 2009-09-17 US disclosed
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase KOHGO SATORU 2008-06-26 US disclosed
EP-1589026-B1 4'-C-Substituted-2-Haloadenosine derivative YAMASA CORP (JP) 2008-03-12 EP disclosed
US-7339053-B2 4′-C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2008-03-04 US disclosed
EP-1589026-A1 4'-C-Substituted-2-Haloadenosine derivative YAMASA CORPORATION (JP) 2005-10-26 EP disclosed
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2005-09-29 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 (3 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-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase ADA, PNP, DCTD PDPK1 1701/4885GDA 18/4885ALDH1A1 910/4885
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative ADORA1, ADORA2A, ADORA3 PDPK1 2422/4885GDA 252/4885ALDH1A1 1567/4885
US-20090234110-A1 4' -C-substituted-2-haloadenosine derivative ADORA1, ADORA2A, ADORA3 PDPK1 981/4885GDA 122/4885ALDH1A1 3694/4885

“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.