SCHEMBL21839554

SCHEMBL21839554

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NT5E P21589 10/20 0.61
RNASEL Q05823 3/20 0.60
DOT1L Q8TEK3 1/20 0.57
DNPH1 O43598 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL21882810 0.94 NT5E (0.54) NT5ERNASELDOT1LDNPH1TAS1R3
SCHEMBL21839485 0.90 NT5E (0.64) NT5ERNASELDNPH1TAS1R3TAS1R1
SCHEMBL30394278 0.90 NT5E (0.64) NT5ERNASELDNPH1TAS1R3TAS1R1
SCHEMBL21839573 0.89 NT5E (0.63) NT5ERNASELDNPH1TAS1R3TAS1R1
SCHEMBL30394900 0.87 NT5E (0.77) NT5ERNASELDOT1LDNPH1TAS1R3
SCHEMBL21839880 0.87 NT5E (0.77) NT5ERNASELDOT1LDNPH1TAS1R3
SCHEMBL6663002 0.86 ADORA3 (0.71) DOT1LADORA3
SCHEMBL6662994 0.86 ADORA3 (0.71) DOT1LADORA3
SCHEMBL21839481 0.85 NT5E (0.77) NT5ETAS1R3TAS1R1ADORA3
SCHEMBL21839592 0.85 P2RX3 (0.61) NT5ERNASELDNPH1TAS1R3TAS1R1

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 4 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
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 (3 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 3/4885RNASEL 384/4885DOT1L 3158/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 NT5E 5/4885RNASEL 217/4885DOT1L 2237/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E NT5E 3/4885RNASEL 384/4885DOT1L 3158/4885

“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.