SCHEMBL22866623

SCHEMBL22866623

O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.84
▸ TAS1R1 Q7RTX1 1/20 0.84
▸ ADORA1 P30542 6/20 0.80
▸ NT5E P21589 5/20 0.78
▸ GPR17 Q13304 1/20 0.77
▸ ADORA3 P0DMS8 5/20 0.72
▸ PLCG1 P19174 1/20 0.69
▸ ENPP1 P22413 1/20 0.69
▸ ADORA2A P29274 2/20 0.69
▸ ADORA2B P29275 2/20 0.69
▸ TSHR P16473 2/20 0.68
▸ PMP22 Q01453 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ SIGMAR1 Q99720 1/20 0.68
▸ SLC29A1 Q99808 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ TP53 P04637 1/20 0.68

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
SCHEMBL30969947 0.91 TAS1R3 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL30969949 0.91 TAS1R3 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL17824354 0.91 TAS1R3 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL20277517 0.91 TAS1R3 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL20282633 0.91 TAS1R3 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL20282632 0.91 TAS1R3 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL30150750 0.89 ADORA1 (1.00) TAS1R3TAS1R1ADORA1GPR17ADORA3
SCHEMBL23440052 0.88 GPR17 (0.97) TAS1R3TAS1R1ADORA1NT5EGPR17
SCHEMBL30969940 0.88 GPR17 (0.97) TAS1R3TAS1R1ADORA1NT5EGPR17
SCHEMBL21839754 0.88 TAS1R3 (0.81) TAS1R3TAS1R1ADORA1NT5EGPR17

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 TAS1R3 3936/4885TAS1R1 3895/4885ADORA1 40/4885
US-20210002322-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E TAS1R3 3893/4885TAS1R1 3860/4885ADORA1 39/4885

“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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