SCHEMBL19959489

SCHEMBL19959489

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.56
NT5E P21589 13/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADORA1 P30542 2/20 0.50
PDE2A O00408 1/20 0.50

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
SCHEMBL29489842 1.00 TYMP (0.56) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL19959488 1.00 TYMP (0.56) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL19948562 1.00 TYMP (0.56) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL19949098 1.00 TYMP (0.56) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL30262547 1.00 TYMP (0.56) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL19968645 0.94 TYMP (0.56) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL23630122 0.94 TYMP (0.51) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL31075613 0.94 TYMP (0.51) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL20347298 0.92 NT5E (0.52) TYMPNT5EADORA3ADORA1PDE2A
SCHEMBL19961915 0.92 NT5E (0.52) TYMPNT5EADORA3ADORA1PDE2A

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 11 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-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
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 (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 TYMP 50/4885NT5E 1/4885ADORA3 23/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 TYMP 50/4885NT5E 1/4885ADORA3 23/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 TYMP 50/4885NT5E 1/4885ADORA3 23/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 TYMP 28/4885NT5E 2/4885ADORA3 18/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 TYMP 16/4885NT5E 2/4885ADORA3 17/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 TYMP 50/4885NT5E 1/4885ADORA3 23/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 TYMP 16/4885NT5E 2/4885ADORA3 17/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 TYMP 50/4885NT5E 1/4885ADORA3 23/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 TYMP 50/4885NT5E 1/4885ADORA3 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.