SCHEMBL19370343

SCHEMBL19370343

CO[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)n1ncc2c(N[C@@H](C)c3ccc(F)cc3)cc(Cl)nc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 15/20 0.61
▸ GGPS1 O95749 2/20 0.34
▸ PDE1C Q14123 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PDE8A O60658 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL22866579 0.93 NT5E (0.52) NT5EPDE1C
SCHEMBL22866535 0.93 NT5E (0.52) NT5EPDE1C
SCHEMBL22843457 0.89 NT5E (0.59) NT5EGGPS1PDE1CPLK4NTRK1
SCHEMBL22866583 0.88 NT5E (0.62) NT5EGGPS1
SCHEMBL19370338 0.87 NT5E (0.61) NT5E
SCHEMBL19370331 0.87 NT5E (0.61) NT5E
SCHEMBL22843571 0.87 NT5E (0.61) NT5EGGPS1PDE1CPDE8APDE5A
SCHEMBL22843558 0.81 NT5E (0.49) NT5EPDE1C
SCHEMBL22843594 0.81 NT5E (0.49) NT5EPDE1C
SCHEMBL19370350 0.81 NT5E (0.63) NT5E

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-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2019-03-26 — — US disclosed
US-20170267710-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2017-09-21 — — 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-20170267710-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885GGPS1 483/4885PDE1C 1413/4885
US-10239912-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885GGPS1 493/4885PDE1C 1425/4885

“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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