SCHEMBL3701954

SCHEMBL3701954

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)C[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NADK O95544 2/20 0.57
ADORA2A P29274 6/20 0.51
ADORA1 P30542 5/20 0.51
ADORA3 P0DMS8 5/20 0.51
ADORA2B P29275 4/20 0.51
HSPA5 P11021 2/20 0.50
HSPA8 P11142 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
RAPGEF3 O95398 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3704527 1.00 NADK (0.57) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL8623943 0.88 NADK (0.53) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL8623937 0.88 NADK (0.53) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL14034324 0.87 AMD1 (0.55) ADORA2AADORA3HSPA5HSPA8RXFP1
SCHEMBL19680323 0.86 AHCY (0.55) ADORA2AADORA3HSPA5HSPA8PDE4A
SCHEMBL29328694 0.84 HSPA8 (0.48) ADORA2AADORA3HSPA5HSPA8LMNA
SCHEMBL2582785 0.83 HSPA5 (0.47) ADORA2AADORA3HSPA5HSPA8LMNA
SCHEMBL28542518 0.80 ALDH1A1 (0.45) NADKTSHRLMNAMAPTPMP22
SCHEMBL20419168 0.80 CDK2 (0.49) HSPA8HIF1A
SCHEMBL20419165 0.80 RAPGEF3 (0.49) NADKADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025031-A1 METABOLIC DOWNREGULATION FOR CELL SURVIVAL WAKE FOREST UNIVERSITY HEALTH SCIENCES 2015-01-22 US claimed
WO-2013134209-A1 METABOLIC DOWNREGULATION FOR CELL SURVIVAL WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2013-09-12 WO claimed
JP-63159392-A None JP disclosed
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 US disclosed
WO-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 WO disclosed
US-20150025031-A1 METABOLIC DOWNREGULATION FOR CELL SURVIVAL WAKE FOREST UNIVERSITY HEALTH SCIENCES 2015-01-22 US disclosed
WO-2013134209-A1 METABOLIC DOWNREGULATION FOR CELL SURVIVAL WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2013-09-12 WO disclosed
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 US disclosed
US-7642086-B2 Labeled probe bound object, method for producing the same and method for using the same CANON KABUSHIKI KAISHA (JP) 2010-01-05 US disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 US disclosed
US-20070092897-A1 Labeled probe bound object, method for producing the same and method for using the same CANON KABUSHIKI KAISHA (JP) 2007-04-26 US disclosed
EP-1276881-B1 METHODS FOR ENHANCING THE EXPRESSION OF A PROTEIN OF INTEREST BY RECOMBINANT HOST CELLS ZYMOGENETICS INC (US) 2006-02-22 EP disclosed
US-6908751-B2 Methods for enhancing the expression of a protein of interest by recombinant host cells ZYMOGENETICS, INC. (US) 2005-06-21 US disclosed
EP-1519189-A1 METHOD OF ANALYZING PROBE SUPPORT BY USING FLYING TIME SECONDARY ION MASS SPECTROMETRY CANON KABUSHIKI KAISHA (JP) 2005-03-30 EP disclosed
US-20040137491-A1 Method of analyzing probe carrier using time-of-flight secondary ion mass spectrometry CANON KABUSHIKI KAISHA (JP) 2004-07-15 US disclosed
EP-1276881-A2 METHODS FOR ENHANCING THE EXPRESSION OF A PROTEIN OF INTEREST BY RECOMBINANT HOST CELLS ZymoGenetics, Inc. (US) 2003-01-22 EP disclosed
US-20020019049-A1 Methods for enhancing the expression of a protein of interest by recombinant host cells ZYMOGENETICS, INC. 2002-02-14 US disclosed
WO-2001081596-A2 METHODS FOR ENHANCING THE EXPRESSION OF A PROTEIN OF INTEREST BY RECOMBINANT HOST CELLS ZYMOGENETICS, INC. (US) 2001-11-01 WO disclosed
JP-S63159392-A 8-SUBSTITUTED CORDYCEPIN AND PRODUCTION THEREOF KIKKOMAN CORP 1988-07-02 JP 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D NADK 1297/4885ADORA2A 1/4885ADORA1 31/4885
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B NADK 2540/4885ADORA2A 10/4885ADORA1 14/4885
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A NADK 827/4885ADORA2A 3/4885ADORA1 6/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 NADK 1124/4885ADORA2A 9/4885ADORA1 83/4885

“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.