SCHEMBL655396

SCHEMBL655396

c1nc(-c2nc[nH]n2)c2[nH]cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.47
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
LRRK2 Q5S007 2/20 0.47
LMNA P02545 2/20 0.47
DRD3 P35462 1/20 0.47
XDH P47989 1/20 0.47
G6PD P11413 1/20 0.46
AKT2 P31751 6/20 0.46
PRKACA P17612 3/20 0.43
TP53 P04637 2/20 0.43
PRKACG P22612 2/20 0.43
PRKACB P22694 2/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
CHEK2 O96017 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL30862619 0.83 PI4KA (0.55) PDPK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7035594 0.78 PI4KA (0.50) PDPK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7027245 0.74 AKT2 (0.47) PDPK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL655395 0.71
SCHEMBL4450452 0.71
SCHEMBL3626878 0.71
SCHEMBL2938675 0.69 AKT2 (0.70) AKT2PRKACAPRKACGPRKACBCDC7
SCHEMBL4946019 0.68 PI4KA (0.47) PDPK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL19288719 0.67 AKT2 (0.54) PDPK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3778190 0.67 AKT2 (0.48) PDPK1PI4KAPI4K2BPI4K2API4KB

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
EP-2923734-B1 PURINE ANALOGUES AND THEIR USE AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 PDPK1 2251/4885PI4KA 2193/4885PI4K2B 2624/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 PDPK1 2251/4885PI4KA 2193/4885PI4K2B 2624/4885

“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.