SCHEMBL21839632

SCHEMBL21839632

CC(c1ccccc1)N(C)c1nc(Cl)nc2c1ccn2[C@@H]1O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.58

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
SCHEMBL21839630 1.00 NT5E (0.58) NT5E
SCHEMBL21839745 1.00 NT5E (0.58) NT5E
SCHEMBL23907473 0.89 NT5E (0.49) NT5E
SCHEMBL21839721 0.88 NT5E (0.47) NT5E
SCHEMBL23914918 0.88 NT5E (0.47) NT5E
SCHEMBL21839723 0.88 NT5E (0.47) NT5E
SCHEMBL23914866 0.87 NT5E (0.72) NT5E
SCHEMBL21839580 0.87 NT5E (0.72) NT5E
SCHEMBL21839581 0.87 NT5E (0.72) NT5E
SCHEMBL21839732 0.87 NT5E (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885

“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.