SCHEMBL23765452

SCHEMBL23765452

Cc1nc2c(ccn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(NC2CCCC2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NT5E P21589 11/20 0.54
P2RY6 Q15077 4/20 0.49
P2RY14 Q15391 2/20 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
SCHEMBL23270490 0.92 NT5E (0.57) NT5EP2RY6P2RY14
SCHEMBL31078154 0.92 NT5E (0.57) NT5EP2RY6P2RY14
SCHEMBL31622323 0.92 NT5E (0.57) NT5EP2RY6P2RY14
SCHEMBL23765441 0.90 NT5E (0.55) NT5EP2RY6P2RY14
SCHEMBL23765457 0.89 NT5E (0.53) NT5E
SCHEMBL23765296 0.87 NT5E (0.57) NT5EP2RY6P2RY14
SCHEMBL23765505 0.85 NT5E (0.55) NT5EP2RY6P2RY14
SCHEMBL23765282 0.85 NT5E (0.59) NT5E
SCHEMBL23765346 0.84 NT5E (0.51) NT5EP2RY6P2RY14
SCHEMBL23765559 0.83 NT5E (0.52) NT5EP2RY6P2RY14

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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 NT5E 2/4885P2RY6 63/4885P2RY14 227/4885

“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.