SCHEMBL21766017

SCHEMBL21766017

CO[C@@H](CCn1cnc2c(NC3CCCC3)nc(Cl)nc21)CN(CC1CC1)C(=O)CP(=O)(O)OCOC(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.39
ADORA3 P0DMS8 5/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2A P29274 3/20 0.38
NT5E P21589 6/20 0.38
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL21765916 0.94 ADORA3 (0.38) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL21766033 0.91 P2RY1 (0.40) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL20180117 0.88 ADORA3 (0.35) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL21766024 0.86 ADORA1 (0.42) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL20180115 0.80 NT5E (0.59) ADORA3ADORA1ADORA2ANT5EADORA2B
SCHEMBL21766040 0.80 ADORA1 (0.43) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL21766008 0.78 ADORA1 (0.41) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL22215100 0.77 P2RY1 (0.43) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL21766026 0.76 ADORA3 (0.42) P2RY1ADORA3ADORA1ADORA2ANT5E
SCHEMBL20180326 0.74 ADORA3 (0.58) ADORA3ADORA1ADORA2ANT5EADORA2B

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-11267845-B2 Inhibitors of CD73-mediated immunosuppression ARCUS BIOSCIENCES, INC. (US) 2022-03-08 US disclosed
US-20200062797-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. 2020-02-27 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-20200062797-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ENTPD5, NT5E, ENTPD1 P2RY1 58/4885ADORA3 28/4885ADORA1 29/4885
US-11267845-B2 Inhibitors of CD73-mediated immunosuppression ENTPD5, NT5E, ENTPD1 P2RY1 58/4885ADORA3 28/4885ADORA1 29/4885

“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.