SCHEMBL18512580

SCHEMBL18512580

C[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](CO)O[C@H]1n1cnc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)nc(I)nc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ ADORA2A P29274 4/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ P2RY11 Q96G91 1/20 0.40
▸ SLC29A1 Q99808 5/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ ADORA2B P29275 2/20 0.37
▸ LGALS9 O00182 1/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ LGALS7; LGALS7B P47929 1/20 0.37
▸ NPEPPS P55786 1/20 0.37

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
SCHEMBL17202905 0.93 LMNA (0.49) LMNAADORA2AADORA3ADORA1P2RY11
SCHEMBL18512571 0.89 LMNA (0.46) LMNAADORA2AADORA3ADORA1P2RY11
SCHEMBL18512585 0.86 LMNA (0.43) LMNAADORA2AADORA3ADORA1P2RY11
SCHEMBL18512581 0.86 NT5E (0.45) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL17202720 0.83 LMNA (0.49) LMNAADORA2AADORA3ADORA1P2RY11
SCHEMBL23566752 0.82 LMNA (0.47) LMNAADORA2AADORA3ADORA1P2RY11
SCHEMBL18512597 0.81 LMNA (0.62) LMNAADORA2AP2RY11SLC29A1P2RX3
SCHEMBL16203604 0.81 LMNA (0.62) LMNAADORA2AP2RY11SLC29A1P2RX3
SCHEMBL17677178 0.80 LMNA (0.64) LMNAADORA2AP2RY11SLC29A1P2RX3
SCHEMBL29672354 0.80 LMNA (0.64) LMNAADORA2AP2RY11SLC29A1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 — — 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 (1 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-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E LMNA 2579/4885ADORA2A 12/4885ADORA3 28/4885

“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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