SCHEMBL21139459

SCHEMBL21139459

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1cnc3c(Cl)ncnc31)O[C@@H]2C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

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 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX4 Q99571 1/20 0.41
AMD1 P17707 2/20 0.40
AHCY P23526 5/20 0.38
TYMP P19971 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19443157 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17367922 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19443161 1.00 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5503052 0.89 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14264199 0.84 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13975989 0.82 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13966423 0.82 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL91054 0.80 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL66731 0.80 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1757060 0.80 PI4KA (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (TW) 2019-07-09 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-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 PI4KA 2167/4885PI4K2B 2225/4885PI4K2A 1699/4885

“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.