SCHEMBL21263919

SCHEMBL21263919

NC(=O)c1cc([C@@H]2C[C@H](COP(O)(O)=S)[C@H]2COP(O)(=S)OC[C@@H]2C[C@@H](F)[C@H](n3cnc4c(N)ncnc43)O2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FHIT P49789 4/20 0.41
▸ BCHE P06276 2/20 0.41
▸ ADH1A P07327 1/20 0.41
▸ IMPDH2 P12268 8/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ P2RY11 Q96G91 1/20 0.40
▸ IMPDH1 P20839 3/20 0.40
▸ NADK O95544 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
SCHEMBL24444131 0.87 ADH1A (0.43) BCHEADH1AIMPDH2IMPDH1NADK
SCHEMBL24258562 0.87 BCHE (0.42) FHITBCHEADH1AIMPDH2IMPDH1
SCHEMBL21264014 0.83 IMPDH2 (0.54) FHITADH1AIMPDH2ENPP1P2RY11
SCHEMBL20325291 0.80 P2RY1 (0.52) FHITBCHEENPP1P2RY11
SCHEMBL20324638 0.80 P2RY1 (0.52) FHITBCHEENPP1P2RY11
SCHEMBL24681007 0.77 BCHE (0.51) FHITBCHEENPP1P2RY11
SCHEMBL24258564 0.76 IMPDH2 (0.46) FHITADH1AIMPDH2IMPDH1NADK
SCHEMBL24258672 0.75 TAS1R3 (0.41) ADH1AIMPDH2IMPDH1NADK
SCHEMBL21263869 0.74 AHCY (0.43) FHITADH1AIMPDH2IMPDH1NADK
SCHEMBL21417366 0.74 P2RY1 (0.66) P2RY11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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 4468/4885BCHE 3073/4885ADH1A 3178/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 FHIT 4468/4885BCHE 3073/4885ADH1A 3178/4885

“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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