SCHEMBL22858497

SCHEMBL22858497

COC(=O)c1cc([C@H]2CC[C@@H](COP(=S)(OCCC#N)O[C@H]3C[C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)O[C@@H]3CO)O2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 4/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL22858508 0.90 P2RY12 (0.34) P2RY12ADORA1P2RY1POLB
SCHEMBL20691331 0.79 P2RY12 (0.38) P2RY12ADORA1P2RY1POLB
SCHEMBL20691946 0.78 P2RY12 (0.34) P2RY12ADORA1P2RY1POLB
SCHEMBL20691312 0.77 TYMP (0.39) P2RY12ADORA1P2RY1POLB
SCHEMBL4727394 0.77 ADORA1 (0.46) ADORA1POLB
SCHEMBL4727404 0.77 ADORA1 (0.46) ADORA1POLB
SCHEMBL21263876 0.77 PRMT6 (0.33) P2RY12ADORA1P2RY1
SCHEMBL25688948 0.76 P2RY12 (0.38) P2RY12ADORA1P2RY1
SCHEMBL17860588 0.76 ADORA1 (0.40) P2RY12ADORA1P2RY1POLB
SCHEMBL21389676 0.76 P2RX3 (0.41) P2RY12ADORA1POLB

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-20210002323-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2021-01-07 — — 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-20210002323-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, NTPCR P2RY12 1249/4885ADORA1 1366/4885P2RY1 762/4885

“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.

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