SCHEMBL30393985

SCHEMBL30393985

COC([C@@H]1O[C@@H](n2ccc3c(N4CCC(F)(F)CC4)nc(C#N)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.34
▸ PRMT5 O14744 14/20 0.32
▸ WDR77 Q9BQA1 14/20 0.32
▸ P2RY2 P41231 2/20 0.31
▸ P2RY6 Q15077 2/20 0.31
▸ P2RY4 P51582 1/20 0.30

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
SCHEMBL30394412 0.88 NT5E (0.41) NT5EPRMT5WDR77
SCHEMBL30394629 0.84 NT5E (0.40) NT5EPRMT5WDR77
SCHEMBL21839819 0.82 NT5E (0.48) NT5E
SCHEMBL21839821 0.78 NT5E (0.45) NT5E
SCHEMBL23907472 0.77 NT5E (0.37) NT5EP2RY2P2RY6P2RY4
SCHEMBL30394207 0.76 NT5E (0.47) NT5EPRMT5WDR77
SCHEMBL30394127 0.76 NT5E (0.47) NT5EPRMT5WDR77
SCHEMBL21839674 0.73 NT5E (0.55) NT5E
SCHEMBL21839523 0.72 NT5E (0.56) NT5E
SCHEMBL23907507 0.71 NT5E (0.41) NT5EPRMT5P2RY2P2RY6P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 — — 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 (1 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885PRMT5 510/4885WDR77 2379/4885

“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.

Send feedback