SCHEMBL22866465

SCHEMBL22866465

O=P(O)(O)CP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(NCc4ccc(-c5ccccc5)cc4)ncnc32)O1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.64
▸ NR2F2 P24468 4/20 0.57
▸ DNPH1 O43598 1/20 0.53
▸ PAX8 Q06710 1/20 0.52
▸ ABL1 P00519 4/20 0.52
▸ RIN1 Q13671 4/20 0.52
▸ P2RX3 P56373 1/20 0.49
▸ P2RX2 Q9UBL9 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GALR3 O60755 1/20 0.49

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
SCHEMBL22866575 0.91 NT5E (0.59) NT5ENR2F2DNPH1P2RX3P2RX2
SCHEMBL22866534 0.89 NT5E (0.57) NT5ENR2F2DNPH1P2RX3P2RX2
SCHEMBL19100819 0.83 NT5E (0.91) NT5EDNPH1P2RX3P2RX2
SCHEMBL22843492 0.82 NT5E (0.68) NT5EDNPH1P2RX3P2RX2
SCHEMBL23922247 0.78 ENPP1 (0.65) NT5EP2RX3
SCHEMBL13467655 0.78 NPC1 (0.66) NR2F2PAX8ABL1RIN1NPC1
SCHEMBL12566819 0.78 NPC1 (0.58) NT5ENR2F2DNPH1P2RX3P2RX2
SCHEMBL23431307 0.78 NT5E (1.00) NT5EDNPH1P2RX3P2RX2
SCHEMBL29393691 0.78 NT5E (1.00) NT5EDNPH1P2RX3P2RX2
SCHEMBL22843547 0.77 NT5E (0.75) NT5EDNPH1P2RX3P2RX2

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-11001603-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2021-05-11 — — US disclosed
US-20210002322-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2021-01-07 — — 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-11001603-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885NR2F2 3245/4885DNPH1 285/4885
US-20210002322-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885NR2F2 3323/4885DNPH1 256/4885

“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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