SCHEMBL13046096

SCHEMBL13046096

O=C(Nc1nc([18F])nc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.50
▸ P2RX4 Q99571 1/20 0.50
▸ P2RX2 Q9UBL9 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ P2RY11 Q96G91 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44

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
SCHEMBL13046085 1.00 P2RX3 (0.50) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL30019683 0.94 LMNA (0.48) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL22983997 0.88 P2RX3 (0.59) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL4520396 0.87 P2RX3 (0.58) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL4520402 0.87 P2RX3 (0.58) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL8595775 0.87 P2RX3 (0.58) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL4148758 0.86 P2RX3 (0.46) P2RX3P2RX4P2RX2MEN1USP2
SCHEMBL17032324 0.86 ADORA3 (0.46) P2RX3P2RX4P2RX2PRMT6P2RY11
SCHEMBL17032318 0.86 ADORA3 (0.46) P2RX3P2RX4P2RX2PRMT6P2RY11
SCHEMBL5982554 0.85 PRMT6 (0.62) P2RX3P2RX4P2RX2MEN1USP2

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-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 — — 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-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT P2RX3 135/4885P2RX4 131/4885P2RX2 132/4885

“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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