SCHEMBL21263944

SCHEMBL21263944

C[C@@H]1[C@H](F)[C@@H](COP(=O)(S)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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 5/20 0.40
▸ NT5E P21589 2/20 0.40
▸ P2RY1 P47900 4/20 0.39
▸ P2RY2 P41231 3/20 0.39
▸ SRC P12931 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ DNPH1 O43598 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TAS1R3 Q7RTX0 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
SCHEMBL21263960 0.96 P2RY1 (0.41) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21263943 0.94 FHIT (0.45) FHITNT5EP2RY1P2RY2SRC
SCHEMBL24444133 0.90 P2RY1 (0.48) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24258604 0.89 POLB (0.41) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24258614 0.87 POLB (0.49) FHITNT5EP2RY1P2RY2SRC
SCHEMBL24258636 0.85 RNASEL (0.42) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL24258615 0.85 RNASEL (0.38) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21263871 0.84 POLB (0.49) FHITP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24258653 0.84 NT5E (0.37) FHITNT5EP2RY1P2RY2SRC
SCHEMBL24258651 0.80 RNASEL (0.45) —

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 FHIT 4468/4885NT5E 102/4885P2RY1 1124/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 FHIT 4468/4885NT5E 102/4885P2RY1 1124/4885

“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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