SCHEMBL3765243

SCHEMBL3765243

CCCCN(C=Nc1nnnc2c1ncn2[C@H]1CC(O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O1)CCCC

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 15/20 0.49
▸ POLA1 P09884 1/20 0.32

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
SCHEMBL3765241 1.00 TYMP (0.49) TYMPPOLA1
SCHEMBL3771375 1.00 TYMP (0.49) TYMPPOLA1
SCHEMBL5055945 0.91 TYMP (0.52) TYMP
SCHEMBL3767163 0.82 TYMP (0.34) TYMP
SCHEMBL7656894 0.80 TYMP (0.51) TYMP
SCHEMBL7656887 0.80 TYMP (0.51) TYMP
SCHEMBL3771295 0.80 HIF1A (0.48) POLA1
SCHEMBL17069757 0.78 TYMP (0.40) TYMP
SCHEMBL5055951 0.78 TYMP (0.52) TYMP
SCHEMBL29975248 0.77 TYMP (0.51) TYMPPOLA1

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 TYMP 12/4885POLA1 687/4885
US-20070015725-A1 2-azapurine compounds and their uses ADAR, NSUN2, AMPD2 TYMP 12/4885POLA1 723/4885

“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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