SCHEMBL2198754

SCHEMBL2198754

Nc1nc(N)c2nc(CCC3CC3)n(C3CCCCO3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 16/20 0.36
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.32
PI4KA P42356 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
ADCY1 Q08828 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL565852 0.85 PDE8B (0.44) PDE8BGAA
SCHEMBL2200949 0.84 PDE8B (0.41) PDE8BPI4KAPI4K2BPI4K2API4KB
SCHEMBL565985 0.72 PDE8B (0.38) PDE8BGAA
SCHEMBL567336 0.72 PDE8B (0.38) PDE8BGAA
SCHEMBL4553782 0.70 ADORA2A (0.44)
SCHEMBL2199789 0.70 ADORA2A (0.44)
SCHEMBL3322870 0.70 ADORA2A (0.43) PDE8BALDH1A1
SCHEMBL2199802 0.69 ADORA2A (0.43)
SCHEMBL2200724 0.68 ADORA2A (0.41) PDE8BALDH1A1
SCHEMBL2198897 0.68 ADORA2A (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 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 (4 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PDE8B 1844/4885TP53 422/4885CYP2C9 3964/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R PDE8B 1844/4885TP53 422/4885CYP2C9 3964/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 PDE8B 1270/4885TP53 668/4885CYP2C9 244/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PDE8B 1844/4885TP53 422/4885CYP2C9 3964/4885

“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.