SCHEMBL3766539

SCHEMBL3766539

Nc1nnnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ TP53 P04637 1/20 0.69
▸ HTT P42858 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3A Q14432 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.69
▸ HIF1A Q16665 1/20 0.57
▸ PIM1 P11309 1/20 0.56
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A1 P68400 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ DNMT1 P26358 1/20 0.56

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
SCHEMBL21625245 1.00 PNP (0.69) PNPLMNATP53HTTPDE4D
SCHEMBL3759135 1.00 PNP (0.69) PNPLMNATP53HTTPDE4D
SCHEMBL3766542 1.00 PNP (0.69) PNPLMNATP53HTTPDE4D
SCHEMBL13058797 0.87 PNP (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL29820266 0.87 HIF1A (0.58) PNPLMNATP53HTTPDE4D
SCHEMBL311622 0.87 HIF1A (0.58) PNPLMNATP53HTTPDE4D
SCHEMBL311621 0.87 HIF1A (0.58) PNPLMNATP53HTTPDE4D
Deoxyadenosine SCHEMBL23982174 0.84 HIF1A (0.71) PNPLMNATP53HTTPDE4D
Deoxyadenosine SCHEMBL193181 0.84 HIF1A (0.71) PNPLMNATP53HTTPDE4D
Deoxyadenosine SCHEMBL19877 0.84 HIF1A (0.71) PNPLMNATP53HTTPDE4D

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 8 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
EP-1214331-A2 2-AZAPURINE COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2002-06-19 — — EP disclosed
WO-2001016149-A2 2-AZAPURINE COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2001-03-08 — — 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-20090306360-A1 2-AZAPURINE COMPOUNDS AND THEIR USE ADAR, AMPD2, NSUN2 PNP 63/4885LMNA 4166/4885TP53 586/4885
US-20070015725-A1 2-azapurine compounds and their uses ADAR, NSUN2, AMPD2 PNP 65/4885LMNA 4160/4885TP53 530/4885

“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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