SCHEMBL475842

SCHEMBL475842

O=C(Nc1nc([Na])nc2nc[nH]c12)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.66
NT5C2 P49902 2/20 0.57
NT5E P21589 1/20 0.55
STAT3 P40763 3/20 0.53
CREBBP Q92793 1/20 0.47
HDAC1 Q13547 1/20 0.46
BTK Q06187 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8121393 0.85 STAT3 (0.69) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL5694052 0.85 BRD4 (0.67) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL5694204 0.84 BRD4 (0.66) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL8446397 0.83 BRD4 (0.64) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL10432005 0.81 BRD4 (0.62) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL29514799 0.80 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL23124 0.80 BRD4 (1.00) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL8381776 0.78 BRD4 (0.97) BRD4NT5C2NT5ECREBBPBTK
SCHEMBL7264355 0.77 BRD4 (0.67) BRD4NT5C2NT5ESTAT3CREBBP
SCHEMBL6463477 0.76 BRD4 (0.92) BRD4NT5C2NT5ECREBBPBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481713-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives GILEAD PHARMASSET LLC (US) 2013-07-09 US disclosed
EP-1773856-B1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET INC (US) 2012-02-01 EP disclosed
EP-2348029-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-d-ribofuranosyl pyrimidines and purines and their derivatives Pharmasset, Inc. (US) 2011-07-27 EP disclosed
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2010-09-16 US disclosed
US-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSETT, INC. (US) 2010-02-25 US disclosed
US-7601820-B2 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSET, INC. (US) 2009-10-13 US disclosed
EP-1773856-A2 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES Pharmasset, Inc. (US) 2007-04-18 EP disclosed
US-20060199783-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSETT, INC. (US) 2006-09-07 US disclosed
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
WO-2006012440-A2 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2006-02-02 WO disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 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 (4 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-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS BRD4 2666/4885NT5C2 66/4885NT5E 428/4885
US-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 BRD4 3760/4885NT5C2 61/4885NT5E 125/4885
US-20060199783-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-D-ribofuranosyl pyrimidines and purines and their derivatives NSUN2, FBL, UMPS BRD4 2811/4885NT5C2 55/4885NT5E 399/4885
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS BRD4 2666/4885NT5C2 66/4885NT5E 428/4885

“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.