SCHEMBL6663698

SCHEMBL6663698

COC[C@H]1O[C@@H](n2cnc3c(Cl)nc(C)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ADORA3 P0DMS8 5/20 0.46
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
AMD1 P17707 2/20 0.40
NT5E P21589 1/20 0.38
ACHE P22303 2/20 0.36

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
SCHEMBL7533606 0.88 RXFP1 (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9620376 0.88 PI4KA (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL260626 0.88 PI4KA (0.61) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14174700 0.88 RXFP1 (0.45) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6659329 0.85 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6659324 0.85 RXFP1 (0.59) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL6663776 0.81 ADORA3 (0.69) ADORA3LMNATP53NT5E
SCHEMBL7528154 0.79 PI4KA (0.48) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL23914964 0.78 LMNA (0.65) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18493278 0.78 LMNA (0.65) 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-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP disclosed
US-5998388-A N6-PHENYL-SUBSTITUTED GLAXO WELLCOME INC. (US) 1999-12-07 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 (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.