SCHEMBL4356493

SCHEMBL4356493

CCC(=O)NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.66
ADORA1 P30542 3/20 0.66
P2RY2 P41231 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
SRC P12931 2/20 0.66
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
TRPM2 O94759 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PDE4D Q08499 1/20 0.66
KCNH2 Q12809 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PDE3A Q14432 1/20 0.66
TAS1R3 Q7RTX0 1/20 0.66
TAS1R1 Q7RTX1 1/20 0.66
P2RY11 Q96G91 1/20 0.66

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
SCHEMBL381173 1.00 P2RY1 (0.66) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL3699269 0.90 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL1723484 0.89 P2RY1 (0.70) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL1000175 0.88 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8708990 0.88 ADORA1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL28978257 0.87 P2RY1 (0.65) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL6569310 0.87 ADORA1 (0.73) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL10586180 0.86 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL30637132 0.86 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL11519682 0.86 P2RY1 (0.68) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215490-A T cells with cell surface expression of adenosine deaminase and uses thereof 小利兰·斯坦福大学董事会 2024-06-18 CN disclosed
WO-2021084791-A1 COMPOSITION TARGETED TO ADENOSINE A2A RECEPTOR 有限会社イムノ 2021-05-06 WO disclosed
EP-3182979-A1 NOVEL COMPOSITIONS AND METHODS USEFUL FOR TREATING OR PREVENTING LIVER DISEASES OR DISORDERS, AND PROMOTING WEIGHT LOSS Yale University (US) 2017-06-28 EP disclosed
WO-2016028753-A1 NOVEL COMPOSITIONS AND METHODS USEFUL FOR TREATING OR PREVENTING LIVER DISEASES OR DISORDERS, AND PROMOTING WEIGHT LOSS YALE UNIVERSITY (US) 2016-02-25 WO disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
EP-1045636-A4 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE TREATMENT OF FAILING MYOCARDIAL TISSUE FELDMAN ARTHUR M (US) 2003-09-10 EP disclosed
US-6221851-B1 INCREASING CELLULAR AVAILABILITY OF ADENOSINE. CARDIOKINE, INC. 2001-04-24 US disclosed
EP-1045636-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE TREATMENT OF FAILING MYOCARDIAL TISSUE Feldman, Arthur M. (US) 2000-10-25 EP disclosed
EP-1019427-A1 N?6 -SUBSTITUTED-ADENOSINE-5'-URONAMIDES AS ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-07-19 EP disclosed
EP-1019427-A4 N?6 -SUBSTITUTED-ADENOSINE-5'-URONAMIDES AS ADENOSINE RECEPTOR MODULATORS MEDCO RES INC (US) 2000-07-19 EP disclosed
US-5998386-A Pharmaceutical compositions and method of using same for the treatment of failing myocardial tissue CARDIOKINE, INC. 1999-12-07 US disclosed
WO-1999013721-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE TREATMENT OF FAILING MYOCARDIAL TISSUE FELDMAN, ARTHUR, M. (US) 1999-03-25 WO disclosed
WO-1999006053-A1 N6-SUBSTITUTED-ADENOSINE-5'-URONAMIDES AS ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-02-11 WO disclosed
EP-0322206-B1 Compositions and methods for improving cold tolerance in animals and humans CA MINISTER NAT DEFENCE (CA) 1995-05-24 EP 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-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 P2RY1 12/4885ADORA1 47/4885P2RY2 14/4885

“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.