SCHEMBL6659324

SCHEMBL6659324

COCC1OC(n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
PI4KA P42356 1/20 0.59
PI4K2B Q8TCG2 1/20 0.59
PI4K2A Q9BTU6 1/20 0.59
PI4KB Q9UBF8 1/20 0.59
P2RX3 P56373 3/20 0.54
P2RX1 P51575 2/20 0.54
P2RX4 Q99571 2/20 0.54
AMD1 P17707 2/20 0.49
TYMP P19971 1/20 0.46
ADORA3 P0DMS8 5/20 0.44
ADK P55263 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SLC29A1 Q99808 2/20 0.40

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
SCHEMBL6659329 1.00 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9620170 0.87 PI4KA (0.77) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795966 0.87 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7732783 0.87 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795964 0.87 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL7732794 0.87 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795275 0.87 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1796386 0.87 RXFP1 (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795283 0.87 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1796531 0.87 RXFP1 (0.69) RXFP1PI4KAPI4K2BPI4K2API4KB

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
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 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 (1 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-20030158146-A1 Chemical compounds CNR1, ADORA3, ADORA1 RXFP1 197/4885PI4KA 4479/4885PI4K2B 4606/4885

“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.