SCHEMBL20333313

SCHEMBL20333313

COc1ccc(C(OC[C@@H]2CC(O[Si](C)(C)C(C)(C)C)[C@H](n3cnc4c(N)nc(Cl)nc43)O2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 16/20 0.49
TYMP P19971 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
PDE2A O00408 2/20 0.41

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
SCHEMBL20305315 1.00 NT5E (0.49) NT5ETYMPADORA3PDE2A
SCHEMBL30115178 1.00 NT5E (0.49) NT5ETYMPADORA3PDE2A
SCHEMBL1080720 0.89 ADORA1 (0.49) NT5ETYMP
SCHEMBL1080722 0.89 ADORA1 (0.49) NT5ETYMP
SCHEMBL24835606 0.87 NT5E (0.63) NT5ETYMPADORA3PDE2A
SCHEMBL30262606 0.87 NT5E (0.65) NT5ETYMPADORA3PDE2A
SCHEMBL31075613 0.86 TYMP (0.51) NT5ETYMPADORA3PDE2A
SCHEMBL23630122 0.86 TYMP (0.51) NT5ETYMPADORA3PDE2A
SCHEMBL20347252 0.85 TYMP (0.42) NT5ETYMP
SCHEMBL20347298 0.85 NT5E (0.52) NT5ETYMPADORA3PDE2A

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 6 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-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-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
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 (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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885TYMP 50/4885ADORA3 23/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885TYMP 50/4885ADORA3 23/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885TYMP 50/4885ADORA3 23/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885TYMP 50/4885ADORA3 23/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885TYMP 50/4885ADORA3 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.