SCHEMBL3699269

SCHEMBL3699269

CC(=O)NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.68
▸ ADORA1 P30542 3/20 0.68
▸ P2RY2 P41231 3/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ SRC P12931 2/20 0.68
▸ DNPH1 O43598 1/20 0.68
▸ PRKAB2 O43741 1/20 0.68
▸ TRPM2 O94759 1/20 0.68
▸ LDHA P00338 1/20 0.68
▸ ADRB2 P07550 1/20 0.68
▸ FBP1 P09467 1/20 0.68
▸ PRKAG1 P54619 1/20 0.68
▸ PRKAA2 P54646 1/20 0.68
▸ PDE4D Q08499 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ PRKAA1 Q13131 1/20 0.68
▸ PDE3A Q14432 1/20 0.68
▸ TAS1R3 Q7RTX0 1/20 0.68
▸ TAS1R1 Q7RTX1 1/20 0.68
▸ P2RY11 Q96G91 1/20 0.68

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
SCHEMBL1723484 0.91 P2RY1 (0.70) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL381173 0.90 P2RY1 (0.66) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL4356493 0.90 P2RY1 (0.66) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL1000175 0.90 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8708990 0.89 ADORA1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL6569310 0.88 ADORA1 (0.73) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL219554 0.88 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL11584743 0.88 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL31001632 0.88 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL5550634 0.88 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272897-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2003-01-08 — — EP claimed
WO-2001058241-A9 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2002-10-17 — — WO claimed
WO-2001058241-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2001-08-16 — — WO claimed
US-10822587-B2 T cell balance gene expression, compositions of matters and methods of use thereof THE BROAD INSTITUTE, INC. (US) 2020-11-03 — — US disclosed
US-20200081017-A1 T CELL BALANCE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-03-12 — — US disclosed
EP-3368048-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AMYLOIDOSIS Ultragenyx Pharmaceutical Inc. (US) 2018-09-05 — — EP disclosed
WO-2017075540-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AMYLOIDOSIS ULTRAGENYX PHARMACEUTICAL INC. (US) 2017-05-04 — — WO disclosed
EP-3110971-A2 T CELL BALANCE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF The Broad Institute Inc. (US) 2017-01-04 — — EP disclosed
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity NORTHEASTERN UNIVERSITY 2016-03-10 — — US disclosed
US-20150361396-A1 T CELL BALANCE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2015-12-17 — — US disclosed
WO-2015130968-A2 T CELL BALANCE GENE EXPRESSION, COMPOSITIONS OF MATTERS AND METHODS OF USE THEREOF The Broad Institute Inc. (US) 2015-09-03 — — WO disclosed
EP-0991414-A4 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS UNIV PENNSYLVANIA (US) 2002-10-02 — — EP disclosed
WO-2001058241-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2001-08-16 — — WO disclosed
US-6211165-B1 GENE EXPRESSION; BINARY CONJUGATES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-04-03 — — US disclosed
EP-0991414-A1 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-04-12 — — EP disclosed
EP-0966285-A1 USE OF (+)MEFLOQUINE FOR THE TREATMENT OF MALARIA Cerebrus Pharmaceuticals Limited (GB) 1999-12-29 — — EP disclosed
WO-1998050047-A1 METHODS AND COMPOSITIONS FOR REDUCING ISCHEMIC INJURY OF THE HEART BY ADMINISTERING ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-11-12 — — WO disclosed
WO-1998039003-A1 USE OF (+)MEFLOQUINE FOR THE TREATMENT OF MALARIA CEREBRUS LIMITED (GB) 1998-09-11 — — WO disclosed
WO-1994023723-A1 ADENOSINE RECEPTOR AGONISTS FOR THE PROMOTION OF WOUND HEALING NEW YORK UNIVERSITY (US) 1994-10-27 — — WO disclosed
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 — — 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 (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-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity ADORA2A, ADORA3, ADORA1 P2RY1 78/4885ADORA1 3/4885P2RY2 107/4885

“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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