SCHEMBL2200949

SCHEMBL2200949

CCCCCc1nc2c(N)nc(N)nc2n1C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 8/20 0.41
TLR7 Q9NYK1 9/20 0.38
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TLR8 Q9NR97 1/20 0.35
ADORA2A P29274 1/20 0.32
GAA P10253 1/20 0.32

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 0.97 PDE8B (0.44) PDE8BTLR7TLR8GAA
SCHEMBL2198754 0.84 PDE8B (0.36) PDE8BPI4KAPI4K2BPI4K2API4KB
SCHEMBL567336 0.77 PDE8B (0.38) PDE8BGAA
SCHEMBL565985 0.77 PDE8B (0.38) PDE8BGAA
SCHEMBL24732698 0.75 TLR7 (0.47) TLR7TLR8ADORA2A
SCHEMBL20092969 0.75 YTHDC1 (0.35) PDE8BTLR7TLR8
SCHEMBL2201074 0.74 TLR7 (0.57) PDE8BTLR7PI4KAPI4K2BPI4K2A
SCHEMBL2199492 0.72 TLR7 (0.38) PDE8BTLR7ADORA2A
SCHEMBL29809327 0.72 TLR7 (0.47) TLR7TLR8ADORA2A
SCHEMBL567233 0.72 TLR7 (0.47) TLR7TLR8ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020684-A1 IMMUNOMODULATOR PURINE-DERIVED COMPOUNDS, CONJUGATES THEREOF, AND METHODS OF USE THEREOF ZYMEWORKS BC INC. (CA) 2024-02-01 WO disclosed
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
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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 (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 1844/4885TLR7 38/4885PI4KA 2224/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R PDE8B 1844/4885TLR7 38/4885PI4KA 2224/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 PDE8B 1270/4885TLR7 58/4885PI4KA 1512/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PDE8B 1844/4885TLR7 38/4885PI4KA 2224/4885

“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.