SCHEMBL23080211

SCHEMBL23080211

CC1(C)O[C@@H]2[C@@H](C(=O)O)OC(n3cnc4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
ADORA2A P29274 5/20 0.48
ADORA2B P29275 5/20 0.48
AHCY P23526 2/20 0.48
HIF1A Q16665 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RY12 Q9H244 1/20 0.42
ACHE P22303 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
SCHEMBL21139456 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL14075793 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13966427 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13975991 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL6573811 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24600719 0.90 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13400312 0.88 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13975989 0.88 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13966423 0.88 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20580185 0.87 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBADORA2A

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885

“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.