SCHEMBL18512571

SCHEMBL18512571

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ P2RY11 Q96G91 2/20 0.39
▸ P2RX3 P56373 2/20 0.39
▸ P2RX4 Q99571 2/20 0.39
▸ P2RX2 Q9UBL9 2/20 0.39
▸ ENPP1 P22413 1/20 0.37
▸ NT5E P21589 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX6 O15547 1/20 0.34
▸ P2RX1 P51575 1/20 0.34
▸ P2RX5 Q93086 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ADORA1 P30542 3/20 0.33

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
SCHEMBL23566752 0.94 LMNA (0.47) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL18512580 0.89 LMNA (0.48) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL18512585 0.84 LMNA (0.43) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL18512581 0.84 NT5E (0.45) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL17202905 0.81 LMNA (0.49) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL17203004 0.79 LMNA (0.43) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL23566761 0.79 LMNA (0.43) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL18493316 0.79 LMNA (0.43) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL17213521 0.77 LMNA (0.44) LMNAP2RY11P2RX3P2RX4P2RX2
SCHEMBL13769463 0.76 LMNA (0.59) LMNAP2RY11P2RX3P2RX4P2RX2

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 2579/4885P2RY11 73/4885P2RX3 54/4885

“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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