SCHEMBL20333410

SCHEMBL20333410

CCCCCSc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.66
▸ ADORA2A P29274 3/20 0.65
▸ ADORA3 P0DMS8 2/20 0.65
▸ PDE2A O00408 1/20 0.65
▸ ADORA1 P30542 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ PDE3A Q14432 1/20 0.65
▸ SLC29A1 Q99808 6/20 0.64
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ADORA2B P29275 2/20 0.49

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
SCHEMBL20347256 0.94 NT5E (0.67) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL20347257 0.91 NT5E (0.57) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL20347255 0.85 NT5E (0.57) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL30262586 0.84 ADORA2A (0.66) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL19948414 0.84 ADORA2A (0.66) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL22807175 0.83 ADORA2A (0.67) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL29489832 0.83 ADORA2A (0.67) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL24195758 0.81 LMNA (0.80) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL21783540 0.81 LMNA (0.80) NT5EADORA2AADORA3PDE2AADORA1
SCHEMBL22289307 0.81 LMNA (0.80) NT5EADORA2AADORA3PDE2AADORA1

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 5 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-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 — — 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

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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885ADORA2A 27/4885ADORA3 23/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885ADORA2A 27/4885ADORA3 23/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885ADORA2A 27/4885ADORA3 23/4885

“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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