Sugi Predict

Sugi Predict / Compounds / SCHEMBL20180024

SCHEMBL20180024

SCHEMBL20180024

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NC3CCCC3)nc(Cl)nc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.72
▸ ADORA2A P29274 4/20 0.72
▸ ADORA2B P29275 4/20 0.72
▸ ADORA1 P30542 4/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.71
▸ ALOX15 P16050 1/20 0.68

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
SCHEMBL6574020 0.93 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL20180090 0.91 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL20180026 0.90 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL7172152 0.90 ADORA1 (0.74) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5503067 0.89 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5511103 0.88 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL15144301 0.87 ADORA3 (0.69) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL12200089 0.87 ADORA3 (0.69) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL7735031 0.87 ADORA3 (0.69) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5507191 0.87 ADORA3 (0.69) ADORA3ADORA2AADORA2BADORA1MEN1

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 7 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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ARCUS BIOSCIENCES, INC. (US) 2021-07-13 — — US disclosed
US-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — US disclosed
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ARCUS BIOSCIENCES, INC. 2020-07-16 — — US disclosed
US-20200062797-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. 2020-02-27 — — US disclosed
WO-2019173682-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. (US) 2019-09-12 — — WO disclosed
WO-2018094148-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. (US) 2018-05-24 — — WO 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 (5 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 ADORA3 19/4885ADORA2A 11/4885ADORA2B 20/4885
US-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ENTPD5, NT5C2, ENTPD1 ADORA3 34/4885ADORA2A 19/4885ADORA2B 42/4885
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 ADORA3 34/4885ADORA2A 19/4885ADORA2B 40/4885
US-20200062797-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ENTPD5, NT5E, ENTPD1 ADORA3 28/4885ADORA2A 13/4885ADORA2B 48/4885
US-11267845-B2 Inhibitors of CD73-mediated immunosuppression ENTPD5, NT5E, ENTPD1 ADORA3 28/4885ADORA2A 13/4885ADORA2B 48/4885

“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.