SCHEMBL17213431

SCHEMBL17213431

CCOP(=O)(OCC)C(CO)OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ P2RX3 P56373 3/20 0.53
▸ P2RX4 Q99571 3/20 0.53
▸ P2RX2 Q9UBL9 3/20 0.53
▸ ENPP1 P22413 2/20 0.45
▸ P2RX1 P51575 2/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ P2RY11 Q96G91 2/20 0.43
▸ P2RX6 O15547 1/20 0.43
▸ P2RX5 Q93086 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ NPEPPS P55786 4/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38

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
SCHEMBL18493281 0.90 LMNA (0.55) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL18512579 0.86 LMNA (0.55) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL17213531 0.85 LMNA (0.57) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL18512526 0.84 LMNA (0.54) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL14075778 0.83 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13046095 0.83 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13084357 0.83 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL13863569 0.83 LMNA (0.75) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL29672348 0.83 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ENPP1
SCHEMBL29672354 0.83 LMNA (0.64) LMNAP2RX3P2RX4P2RX2ENPP1

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 4 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 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-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

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 LMNA 2227/4885P2RX3 54/4885P2RX4 67/4885
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E LMNA 2579/4885P2RX3 54/4885P2RX4 66/4885

“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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