SCHEMBL21839646

SCHEMBL21839646

NS(=O)(=O)c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.65
▸ NT5E P21589 4/20 0.64
▸ P2RX3 P56373 1/20 0.61
▸ P2RX2 Q9UBL9 1/20 0.61
▸ SLC29A1 Q99808 5/20 0.59
▸ ADORA3 P0DMS8 3/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ PRKAG1 P54619 1/20 0.55
▸ PRKAA1 Q13131 1/20 0.55
▸ PRKAB1 Q9Y478 1/20 0.55

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
SCHEMBL21839755 0.91 DNPH1 (0.64) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL30395306 0.89 DNPH1 (0.81) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL21839611 0.89 DNPH1 (0.81) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL23915551 0.88 NT5E (0.52) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL21839764 0.88 DNPH1 (0.70) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL21839620 0.85 ADORA3 (0.65) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL21839668 0.84 DNPH1 (0.69) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL21839800 0.84 ADORA3 (0.73) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL30394844 0.84 ADORA3 (0.73) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL21839573 0.83 NT5E (0.63) DNPH1NT5EP2RX3P2RX2ADORA3

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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 — — US disclosed
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 DNPH1 297/4885NT5E 3/4885P2RX3 37/4885

“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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