SCHEMBL17202815

SCHEMBL17202815

CCOC(=O)[C@H](OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O)P(=O)(O)O

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.87
▸ ADORA3 P0DMS8 4/20 0.68
▸ P2RY1 P47900 6/20 0.62
▸ P2RY11 Q96G91 4/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA4 P22748 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ CD99 P14209 1/20 0.61
▸ ADORA2A P29274 1/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ ADORA1 P30542 1/20 0.60

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
SCHEMBL17203005 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202527 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17203009 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202817 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202524 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL17202697 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL30655874 1.00 NT5E (0.87) NT5EADORA3P2RY1P2RY11CA1
SCHEMBL19948904 0.93 NT5E (1.00) NT5EADORA3CD99ADORA2AADORA1
SCHEMBL19949301 0.93 NT5E (1.00) NT5EADORA3CD99ADORA2AADORA1
SCHEMBL30262579 0.93 NT5E (1.00) NT5EADORA3CD99ADORA2AADORA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 — — EP claimed
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 — — US claimed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 — — US claimed
CN-111542539-B Recovery of T cell Activity by CD39/CD73 axis 先天制药公司 2023-10-20 — — CN disclosed
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 — — EP disclosed
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 — — EP disclosed
CN-111542539-A Restoration of T cell Activity by CD39/CD73 Axis 先天制药公司 2020-08-14 — — CN disclosed
EP-3692068-A1 RESTORATION OF T CELL ACTIVITY VIA THE CD39/CD73 AXIS Innate Pharma (FR) 2020-08-12 — — EP disclosed
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 — — US disclosed
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 — — US disclosed
WO-2019068907-A1 RESTORATION OF T CELL ACTIVITY VIA THE CD39/CD73 AXIS INNATE PHARMA (FR) 2019-04-11 — — WO disclosed
EP-3134411-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER Vitae Pharmaceuticals, Inc. (US) 2017-03-01 — — EP disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 — — US disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 — — US disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 — — US disclosed
WO-2015164573-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER VITAE PHARMACEUTICALS, INC. (US) 2015-10-29 — — WO disclosed
WO-2015164573-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER VITAE PHARMACEUTICALS, INC. (US) 2015-10-29 — — 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 (2 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-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer ENTPD5, NT5E, ENTPD1 NT5E 2/4885ADORA3 33/4885P2RY1 35/4885
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E NT5E 3/4885ADORA3 28/4885P2RY1 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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