SCHEMBL3764696

SCHEMBL3764696

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.52
▸ PNP P00491 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ PIM1 P11309 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CSNK2A3 Q8NEV1 1/20 0.47

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
SCHEMBL3766524 0.89 HIF1A (0.48) HIF1APNPLMNATP53HTT
SCHEMBL3771295 0.88 HIF1A (0.48) HIF1APNPLMNATP53HTT
SCHEMBL11688219 0.87 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL20129803 0.87 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL29738724 0.87 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL11688227 0.87 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL887520 0.87 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL10022903 0.87 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL7661650 0.85 HIF1A (0.52) HIF1APNPLMNATP53HTT
SCHEMBL27218348 0.85 PNP (0.64) HIF1APNPLMNATP53HTT

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 HIF1A 3667/4885PNP 63/4885LMNA 4166/4885
US-20070015725-A1 2-azapurine compounds and their uses ADAR, NSUN2, AMPD2 HIF1A 3580/4885PNP 65/4885LMNA 4160/4885

“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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