SCHEMBL3762378

SCHEMBL3762378

Nc1nnnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ P2RY1 P47900 6/20 0.57
▸ ENPP1 P22413 5/20 0.57
▸ NT5E P21589 1/20 0.57
▸ P2RX1 P51575 3/20 0.54
▸ P2RX3 P56373 3/20 0.54
▸ P2RX2 Q9UBL9 2/20 0.54
▸ DTYMK P23919 2/20 0.53
▸ P2RY2 P41231 3/20 0.52
▸ P2RY6 Q15077 2/20 0.52
▸ P2RY4 P51582 1/20 0.52
▸ P2RX4 Q99571 2/20 0.52
▸ SRC P12931 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ P2RY11 Q96G91 1/20 0.51
▸ RNASEL Q05823 1/20 0.51
▸ P2RY12 Q9H244 1/20 0.50

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
SCHEMBL3030614 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL29350133 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL18785117 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL5044161 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL78250 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL29702495 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL889289 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL703733 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL14471000 0.88 POLB (0.80) POLBP2RY1ENPP1P2RX1P2RX3
SCHEMBL345288 0.87 NT5E (0.67) POLBP2RY1ENPP1NT5EP2RX1

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
US-7847075-B2 2-Azapurine compounds and their use ROCHE MOLECULAR SYSTEMS, INC. (US) 2010-12-07 — — US disclosed
US-20090306360-A1 2-AZAPURINE COMPOUNDS AND THEIR USE ROCHE MOLECULAR SYSTEMS, INC. (US) 2009-12-10 — — US disclosed
US-7612187-B2 2-azapurine compounds and their uses ROCHE DIAGNOSTICS, GMBH (DE) 2009-11-03 — — US disclosed
US-7169553-B1 2-Azapurine compounds and their use ROCHE DIAGNOSTICS, GMBH (DE) 2007-01-30 — — US disclosed
US-20070015725-A1 2-azapurine compounds and their uses ROCHE DIAGNOSTICS, GMBH (US) 2007-01-18 — — US disclosed
EP-1214331-B1 2-AZAPURINE COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2006-10-11 — — EP 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-20090306360-A1 2-AZAPURINE COMPOUNDS AND THEIR USE ADAR, AMPD2, NSUN2 POLB 222/4885P2RY1 1133/4885ENPP1 236/4885
US-20070015725-A1 2-azapurine compounds and their uses ADAR, NSUN2, AMPD2 POLB 214/4885P2RY1 1324/4885ENPP1 225/4885

“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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