SCHEMBL3324519

SCHEMBL3324519

CCCCCNc1nc(N)c2nc(Br)n(C3CCCCO3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.45
ADORA2B P29275 6/20 0.45
ADORA1 P30542 6/20 0.45
TMIGD3 P0DMS9 4/20 0.45
TLR7 Q9NYK1 3/20 0.39
PDE8B O95263 2/20 0.37
FLT3 P36888 1/20 0.35
ADORA3 P0DMS8 2/20 0.34

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
SCHEMBL30731519 1.00 ADORA2A (0.45) ADORA2AADORA2BADORA1TMIGD3TLR7
SCHEMBL2199492 0.86 TLR7 (0.38) ADORA2AADORA2BADORA1TMIGD3TLR7
SCHEMBL4136764 0.86 ALDH1A1 (0.42) ADORA2AADORA2BADORA1TMIGD3PDE8B
SCHEMBL3322870 0.86 ADORA2A (0.43) ADORA2AADORA2BADORA1TMIGD3PDE8B
SCHEMBL16882930 0.81 ADORA2A (0.35) ADORA2AADORA2BADORA1TMIGD3PDE8B
SCHEMBL3378114 0.81 ADORA2A (0.35) ADORA2AADORA2BADORA1TMIGD3PDE8B
SCHEMBL1848717 0.81 ADORA2A (0.35) ADORA2AADORA2BADORA1TMIGD3PDE8B
SCHEMBL12157544 0.80 TP53 (0.49) ADORA2AADORA2BADORA1TMIGD3FLT3
SCHEMBL567681 0.79 TLR7 (0.48) ADORA2AADORA2BTLR7
SCHEMBL29809145 0.79 TLR7 (0.48) ADORA2AADORA2BTLR7

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 15 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-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US 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-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 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-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US 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
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 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 ADORA2A 907/4885ADORA2B 494/4885ADORA1 694/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885ADORA1 694/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 ADORA2A 54/4885ADORA2B 33/4885ADORA1 39/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R ADORA2A 907/4885ADORA2B 494/4885ADORA1 694/4885

“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.