SCHEMBL21264014

SCHEMBL21264014

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 10/20 0.54
▸ NT5E P21589 2/20 0.54
▸ ADH1A P07327 1/20 0.48
▸ P2RY11 Q96G91 2/20 0.48
▸ ENPP1 P22413 2/20 0.48
▸ FHIT P49789 2/20 0.48
▸ IMPDH1 P20839 5/20 0.47
▸ DNPH1 O43598 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY1 P47900 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PDE4D Q08499 1/20 0.47

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
SCHEMBL21263989 0.89 NT5E (0.54) IMPDH2NT5ESRCP2RY2P2RY1
SCHEMBL21263919 0.83 FHIT (0.41) IMPDH2ADH1AP2RY11ENPP1FHIT
SCHEMBL24258564 0.80 IMPDH2 (0.46) IMPDH2NT5EADH1AFHITIMPDH1
SCHEMBL21263869 0.77 AHCY (0.43) IMPDH2ADH1AFHITIMPDH1P2RY1
SCHEMBL24258562 0.75 BCHE (0.42) IMPDH2ADH1AFHITIMPDH1NADK
SCHEMBL24254538 0.75 NT5E (0.76) IMPDH2NT5EP2RY11ENPP1FHIT
SCHEMBL24254535 0.75 NT5E (0.76) IMPDH2NT5EP2RY11ENPP1FHIT
SCHEMBL24659506 0.75 NT5E (0.76) IMPDH2NT5EP2RY11ENPP1FHIT
SCHEMBL22399426 0.75 NT5E (0.76) IMPDH2NT5EP2RY11ENPP1FHIT
SCHEMBL29441942 0.75 NT5E (0.76) IMPDH2NT5EP2RY11ENPP1FHIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339185-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 — — US disclosed
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 (3 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 IMPDH2 84/4885NT5E 102/4885ADH1A 3178/4885
US-11339185-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 IMPDH2 84/4885NT5E 102/4885ADH1A 3178/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 IMPDH2 84/4885NT5E 102/4885ADH1A 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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