SCHEMBL23907386

SCHEMBL23907386

CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COOP(C)(=O)O)[C@@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.62
PRKAG1 P54619 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PRKAB1 Q9Y478 1/20 0.61
DNPH1 O43598 2/20 0.59
ADORA3 P0DMS8 2/20 0.58
ADORA2A P29274 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
NFKB1 P19838 1/20 0.58
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
PMP22 Q01453 1/20 0.58
NPC1 O15118 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
RAB9A P51151 1/20 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
SCHEMBL23907544 0.92 PRKAG1 (0.61) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL23907466 0.92 PRKAG1 (0.55) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL23907506 0.89 NT5E (0.61) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL23907533 0.88 NT5E (0.80) NT5EADORA1
SCHEMBL21839730 0.88 NT5E (0.79) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL30394683 0.88 NT5E (0.79) NT5EPRKAG1PRKAA1PRKAB1DNPH1
SCHEMBL23907545 0.87 NT5E (0.64) NT5EADORA3ADORA2AADORA2BADORA1
SCHEMBL23907460 0.87 DNPH1 (0.78) NT5EDNPH1TSHRNFKB1ALDH1A1
SCHEMBL23907411 0.84 ADORA3 (0.70) NT5EDNPH1ADORA3ADORA2ATP53
SCHEMBL20626263 0.84 PRKAG1 (0.80) PRKAG1PRKAA1PRKAB1ADORA3ADORA2A

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-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885PRKAG1 637/4885PRKAA1 1736/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885PRKAG1 438/4885PRKAA1 1337/4885

“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.