SCHEMBL13046091

SCHEMBL13046091

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.66
▸ P2RX4 Q99571 2/20 0.66
▸ P2RX2 Q9UBL9 2/20 0.66
▸ P2RY11 Q96G91 2/20 0.66
▸ P2RX6 O15547 1/20 0.66
▸ P2RX1 P51575 1/20 0.66
▸ P2RX5 Q93086 1/20 0.66
▸ P2RX7 Q99572 1/20 0.66
▸ ADORA1 P30542 2/20 0.66
▸ ADORA3 P0DMS8 3/20 0.63
▸ DPP4 P27487 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ SLC28A1 O00337 1/20 0.63
▸ MAP3K7 O43318 1/20 0.63
▸ SLC28A2 O43868 1/20 0.63
▸ GAPDH P04406 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ADORA2A P29274 1/20 0.63
▸ ADORA2B P29275 1/20 0.63
▸ STAT6 P42226 1/20 0.63

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
SCHEMBL5797743 1.00 P2RX3 (0.66) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL5797749 1.00 P2RX3 (0.66) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL5794860 0.90 ADORA1 (0.61) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL5664518 0.89 ENPP1 (0.74) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL5664510 0.89 ENPP1 (0.74) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL5793980 0.89 ADORA1 (0.64) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL5793976 0.89 ADORA1 (0.64) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL29187216 0.86 ADORA1 (0.73) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL22571191 0.86 P2RX3 (0.64) P2RX3P2RX4P2RX2P2RY11P2RX6
SCHEMBL29479253 0.86 LMNA (0.57) ADORA1ADORA3MAPK1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238139-B1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-09-27 — — EP disclosed
US-20150238640-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-27 — — US disclosed
US-20150238640-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-27 — — US disclosed
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 — — US disclosed
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 — — US disclosed
WO-2009087066-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-07-16 — — 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-20150238640-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT P2RX3 135/4885P2RX4 131/4885P2RX2 132/4885
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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