SCHEMBL5510441

SCHEMBL5510441

CC1(C)O[C@@H]2[C@@H](O1)[C@@H](C=O)O[C@H]2n1cnc2c(Cl)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
AHCY P23526 9/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
AMD1 P17707 2/20 0.40
TYMP P19971 1/20 0.39
STING1 Q86WV6 1/20 0.37

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
SCHEMBL1802948 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12546290 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1801068 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17889815 0.86 RXFP1 (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17889816 0.85 RXFP1 (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
Hydrochloric Acid SCHEMBL17889876 0.84 RXFP1 (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14264199 0.84 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL23080211 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL21139456 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14075793 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537133-B1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC (US) 2007-07-25 EP disclosed
US-20060135467-A1 Partial and full agonists of A1 adenosine receptors ZABLOCKI JEFF 2006-06-22 US disclosed
US-7022681-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-03-04 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 (2 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-20060135467-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 PI4KA 1835/4885PI4K2B 3445/4885PI4K2A 2297/4885
US-20040043960-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 PI4KA 1901/4885PI4K2B 3579/4885PI4K2A 2459/4885

“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.