SCHEMBL21263960

SCHEMBL21263960

C[C@@H]1[C@H](F)[C@@H](COP(=O)(O)OC[C@@H]2[C@@H](COP(=O)(O)S)C[C@H]2n2cnc3c(N)ncnc32)O[C@H]1n1cnc2c(=O)n3ccnc3[nH]c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.41
▸ P2RY2 P41231 3/20 0.41
▸ P2RX1 P51575 3/20 0.41
▸ P2RX3 P56373 3/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ SRC P12931 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ DTYMK P23919 2/20 0.40
▸ RNASEL Q05823 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TRPM2 O94759 2/20 0.39
▸ MACROD2 A1Z1Q3 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ MACROD1 Q9BQ69 1/20 0.39
▸ PARG Q86W56 1/20 0.39
▸ DNPH1 O43598 1/20 0.39

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
SCHEMBL21263944 0.96 FHIT (0.40) P2RY1P2RY2P2RX1P2RX3P2RX4
SCHEMBL21263943 0.90 FHIT (0.45) P2RY1P2RY2P2RX1P2RX3P2RX4
SCHEMBL24258636 0.89 RNASEL (0.42) P2RY1P2RY2P2RX1P2RX3P2RX4
SCHEMBL24444133 0.87 P2RY1 (0.48) P2RY1P2RY2SRCSMN1; SMN2RNASEL
SCHEMBL24258604 0.85 POLB (0.41) P2RY1P2RY2SRCSMN1; SMN2DTYMK
SCHEMBL24258614 0.83 POLB (0.49) P2RY1P2RY2SRCSMN1; SMN2NT5E
SCHEMBL24258615 0.81 RNASEL (0.38) P2RY1P2RY2SRCSMN1; SMN2DTYMK
SCHEMBL24258653 0.81 NT5E (0.37) P2RY1P2RY2SRCSMN1; SMN2NT5E
SCHEMBL21263871 0.80 POLB (0.49) P2RY1P2RY2SRCSMN1; SMN2DTYMK
SCHEMBL24258651 0.78 RNASEL (0.45) RNASEL

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-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — 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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 P2RY1 1124/4885P2RY2 1259/4885P2RX1 1958/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 P2RY1 1124/4885P2RY2 1259/4885P2RX1 1958/4885

“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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