SCHEMBL24321999

SCHEMBL24321999

C[C@@H]1[C@H](OP(=S)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O[PH](=O)O)[C@@H](CO)O[C@H]1n1cnc2c(=O)n3ccn(CCc4ccc([N+](=O)[O-])cc4)c3nc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 7/20 0.37
▸ P2RY12 Q9H244 7/20 0.33
▸ ADORA1 P30542 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL24321953 0.96 SLC29A1 (0.38) SLC29A1P2RY12ADORA1ADORA3ADORA2A
SCHEMBL25688757 0.86 SLC29A1 (0.36) SLC29A1P2RY12ADORA1ADORA3ADORA2A
SCHEMBL24321888 0.85 SLC29A1 (0.34) SLC29A1P2RY12
SCHEMBL25688777 0.83 SLC29A1 (0.36) SLC29A1P2RY12ADORA1ADORA3ADORA2A
SCHEMBL25688747 0.81 TYMP (0.32) SLC29A1
SCHEMBL25688776 0.77 TYMP (0.32) SLC29A1
SCHEMBL18490426 0.74 KDM4E (0.47) P2RY12ADORA1
SCHEMBL25688735 0.73 TYMP (0.32) SLC29A1
SCHEMBL20547957 0.73 P2RY12 (0.33) P2RY12ADORA1
SCHEMBL21263831 0.73 SLC29A1 (0.34) SLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 — — US disclosed
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-04-21 — — 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-11660311-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, DUT SLC29A1 367/4885P2RY12 1351/4885ADORA1 1492/4885
US-20220117995-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, DUT SLC29A1 367/4885P2RY12 1351/4885ADORA1 1492/4885

“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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