SCHEMBL5504137

SCHEMBL5504137

CC1(C)O[C@@H]2[C@@H](O1)[C@H](n1cnc3c(NCC4CCCC4)ncnc31)O[C@H]2C=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ADORA3 P0DMS8 3/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
P2RX1 P51575 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX4 Q99571 1/20 0.42
NT5E P21589 1/20 0.41

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
SCHEMBL5506328 0.99 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5507611 0.92 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5506522 0.86 ADORA2A (0.55) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL5503630 0.86 ADORA2A (0.55) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL5996922 0.86 ADORA2A (0.55) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL5510529 0.85 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5507476 0.85 ADORA2A (0.56) ADORA3ADORA2AADORA2B
SCHEMBL5506455 0.85 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5506216 0.84 ADORA2A (0.52) ADORA3ADORA1ADORA2AADORA2BRXFP1
SCHEMBL5503372 0.84 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBADORA3

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.