SCHEMBL4757808

SCHEMBL4757808

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.54
▸ ADORA2A P29274 4/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ PDE2A O00408 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PNP P00491 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ P2RY1 P47900 3/20 0.43
▸ DNMT1 P26358 2/20 0.43

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
SCHEMBL19961896 1.00 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2BPDE4D
SCHEMBL22216550 1.00 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2BPDE4D
SCHEMBL5963100 0.91 STING1 (0.47) ADORA3ADORA2AADORA2BLMNARXFP1
SCHEMBL20305241 0.90 ADORA3 (0.46) ADORA3ADORA2AADORA1ADORA2BPDE4D
SCHEMBL8594450 0.90 AHCY (0.50) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL6936922 0.90 ADORA3 (0.51) ADORA3LMNARXFP1DNMT1NT5E
SCHEMBL13030116 0.88 NT5E (0.43) PDE4DPDE3ALMNARXFP1NT5E
SCHEMBL23813544 0.86 STING1 (0.56) ADORA3ADORA2BPDE4DPDE3ALMNA
SCHEMBL6895355 0.86 STING1 (0.56) ADORA3ADORA2BPDE4DPDE3ALMNA
SCHEMBL9964279 0.86 STING1 (0.56) ADORA3ADORA2BPDE4DPDE3ALMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 — — US disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 — — US disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 — — US disclosed
US-11174261-B2 — — 2021-11-16 — — US disclosed
US-11174261-B2 — — 2021-11-16 — — US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 — — US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 — — US disclosed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 — — US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 — — US disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 — — US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 — — WO disclosed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 — — WO disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — US disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — US disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — US disclosed
US-7342003-B2 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-03-11 — — US disclosed
US-7342003-B2 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-03-11 — — US disclosed
US-20060135466-A1 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2006-06-22 — — 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 (9 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA2A 27/4885ADORA1 36/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA2A 27/4885ADORA1 36/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA2A 27/4885ADORA1 36/4885
US-11174261-B2 — ENTPD5, NT5E, ENTPD1 ADORA3 18/4885ADORA2A 9/4885ADORA1 29/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ADORA3 17/4885ADORA2A 11/4885ADORA1 36/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA2A 27/4885ADORA1 36/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA2A 27/4885ADORA1 36/4885
US-20060135466-A1 Synthesis of 2-aralkyloxyadenosines, 2-alkoxyadenosines, and their analogs ADA, ADAR, DCTD ADORA3 44/4885ADORA2A 7/4885ADORA1 72/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885ADORA2A 27/4885ADORA1 36/4885

“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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