SCHEMBL6298549

SCHEMBL6298549

CC1(C)[C@]2(O)[C@@H](C(O)C(=O)O)O[C@@H](n3cnc4c(N)ncnc43)[C@]12O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
ADORA3 P0DMS8 3/20 0.52
AHCY P23526 4/20 0.48
HIF1A Q16665 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ADORA2B P29275 3/20 0.48
HSP90B1 P14625 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ADORA1 P30542 1/20 0.48
CARM1 Q86X55 1/20 0.47
AMD1 P17707 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46

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
SCHEMBL11703712 0.93 ADORA2A (0.54) ADORA2AADORA3AHCYHIF1ATMEM97
SCHEMBL3409898 0.92 ADORA2A (0.53) ADORA2AADORA3AHCYHIF1ATMEM97
SCHEMBL11701245 0.91 ADORA2A (0.53) ADORA2AADORA3AHCYHIF1ATMEM97
SCHEMBL7743648 0.89 ADORA2A (0.40) ADORA2AADORA3AHCYHIF1ATMEM97
SCHEMBL5987512 0.88 TYMP (0.41) ADORA2AADORA3AHCYHIF1ATMEM97
SCHEMBL3411985 0.88 ADORA2A (0.53) ADORA2AADORA3AHCYADORA2BHSP90B1
SCHEMBL6864727 0.87 ADORA2A (0.54) ADORA2AADORA3AHCYADORA2BHSP90B1
SCHEMBL6870926 0.85 ADORA3 (0.44) ADORA2AADORA3ADORA2BADORA1
SCHEMBL10439705 0.85 ADORA2A (0.54) ADORA2AADORA3AHCYADORA2BKMT2A
SCHEMBL6299609 0.84 ADORA2A (0.54) ADORA2AADORA3AHCYADORA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS YALE UNIVERSITY 2018-12-06 US disclosed
WO-2016183217-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS YALE UNIVERSITY (US) 2016-11-17 WO disclosed
EP-1179050-B1 METHOD FOR THE PURIFICATION OF PROTEIN KINASE BY AFFINITY CHROMATOGRAPHY UNIV TARTU (EE) 2012-12-19 EP disclosed
US-6903079-B2 Nucleoside compounds and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK CORP. 2003-08-07 US disclosed
US-6534651-B2 Substituted isoindolinone derivatives INOTEK PHARMACEUTICALS CORP. 2003-03-18 US disclosed
US-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2002-07-18 US disclosed
WO-2001077075-A2 INHIBITORS OF INFLAMMATION AND REPERFUSION INJURY INOTEK CORPORATION (US) 2001-10-18 WO disclosed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 US disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO disclosed
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 US disclosed
US-4029884-A Adenosine-5'-carboxylic acid amides ABBOTT LABORATORIES (US) 1977-06-14 US disclosed
US-3971849-A 1,N6 -etheno-5'-adenosine carboxylates for increasing coronary sinus partial pressure of oxygen ABBOTT LABORATORIES (US) 1976-07-27 US disclosed
US-3966917-A ADENOSINE-5'-CARBOXAMIDES ABBOTT LABORATORIES (US) 1976-06-29 US disclosed
US-3931401-A 1,N6 -etheno-5'-adenosine carboxamides for increasing coronary sinus partial pressure of oxygen ABBOTT LABORATORIES (US) 1976-01-06 US disclosed
US-3855204-A PROCESS FOR PREPARING ADENOSINE-5{40 -CARBOXYLIC ACID, ETHYL ESTER ABBOTT LAB 1974-12-17 US 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 (3 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-20020095044-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 ADORA2A 211/4885ADORA3 780/4885AHCY 2416/4885
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS PHLPP1, PHLPP2, PLAA ADORA2A 10/4885ADORA3 32/4885AHCY 567/4885
US-20030149050-A1 Inhibitors of inflammation and reperfusion injury and methods of use thereof IL1B, PTGS1, MMP8 ADORA2A 211/4885ADORA3 780/4885AHCY 2416/4885

“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.