SCHEMBL19949242

SCHEMBL19949242

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.41
▸ PDE4D Q08499 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ PNP P00491 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ADORA2A P29274 5/20 0.37
▸ ADORA1 P30542 4/20 0.37
▸ NT5E P21589 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL19953772 1.00 ADORA3 (0.41) ADORA3PDE4DPDE3APNPLMNA
SCHEMBL10239049 0.86 ADORA2A (0.39) ADORA3LMNASMN1; SMN2ADORA2AADORA1
SCHEMBL23326714 0.84 STING1 (0.41) ADORA3PDE3A
SCHEMBL6899409 0.82 PDE4D (0.49) ADORA3PDE4DPDE3APNPLMNA
SCHEMBL13030113 0.80 ACHE (0.43) —
SCHEMBL31514886 0.80 ACHE (0.43) —
SCHEMBL20305241 0.80 ADORA3 (0.46) ADORA3PDE4DPDE3APNPLMNA
SCHEMBL18061768 0.80 ACHE (0.36) —
SCHEMBL21136248 0.80 ACHE (0.36) —
SCHEMBL26780401 0.80 ACHE (0.36) —

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 14 patents. 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-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-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-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 — — US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 — — US disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 — — EP disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 23/4885PDE4D 105/4885PDE3A 166/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885PDE4D 105/4885PDE3A 166/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885PDE4D 105/4885PDE3A 166/4885
US-11174261-B2 — ENTPD5, NT5E, ENTPD1 ADORA3 18/4885PDE4D 101/4885PDE3A 221/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ADORA3 17/4885PDE4D 141/4885PDE3A 234/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885PDE4D 105/4885PDE3A 166/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ADORA3 17/4885PDE4D 141/4885PDE3A 234/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885PDE4D 105/4885PDE3A 166/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885PDE4D 105/4885PDE3A 166/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885PDE4D 105/4885PDE3A 166/4885

“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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