SCHEMBL2118563

SCHEMBL2118563

CSC[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.78
DNMT1 P26358 1/20 0.68
DNMT3B Q9UBC3 1/20 0.68
ADORA2A P29274 4/20 0.66
AHCY P23526 2/20 0.61
NADK O95544 1/20 0.59
LMNA P02545 1/20 0.58
NT5E P21589 1/20 0.58
HIF1A Q16665 1/20 0.58
ADORA2B P29275 2/20 0.58
RNASEL Q05823 1/20 0.58

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
SCHEMBL2118571 1.00 ADORA3 (0.78) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL15926825 1.00 ADORA3 (0.78) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL19849513 0.88 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL5354361 0.88 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL5354351 0.88 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL13860338 0.88 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL5354088 0.88 ADORA3 (1.00) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL13860337 0.88 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL5354093 0.88 ADORA3 (1.00) ADORA3DNMT1DNMT3BADORA2AAHCY
SCHEMBL5362972 0.88 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2AAHCY

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-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US claimed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US claimed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US claimed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP claimed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO claimed
EP-2364086-B1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC (US) 2016-09-14 EP disclosed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-8575127-B2 Antithrombotic diadenosine tetraphosphates and related analogs GLSYNTHESIS INC. (US) 2013-11-05 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
US-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2011-10-20 US disclosed
EP-2364086-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS Glsynthesis Inc. (US) 2011-09-14 EP disclosed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP disclosed
WO-2010059215-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GLSYNTHESIS INC. (US) 2010-05-27 WO disclosed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 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 (1 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-20110257252-A1 NOVEL ANTITHROMBOTIC DIADENOSINE TETRAPHOSPHATES AND RELATED ANALOGS GP6, P2RY6, PFKP ADORA3 59/4885DNMT1 2221/4885DNMT3B 2575/4885

“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.