SCHEMBL1000175

SCHEMBL1000175

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CONC(=O)I)[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
TAS1R3 Q7RTX0 2/20 0.68
TAS1R1 Q7RTX1 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
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
SCHEMBL3699269 0.90 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL6569310 0.88 ADORA1 (0.73) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL4356493 0.88 P2RY1 (0.66) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL381173 0.88 P2RY1 (0.66) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL939593 0.87 ADORA1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL8708990 0.87 ADORA1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL28978257 0.87 P2RY1 (0.65) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL5327610 0.86 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL926920 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263762-B2 Alkoxy-carbonyl-amino-alkynyl-adenosine compounds and derivatives thereof as A2AR agonists DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-11 US disclosed
EP-2448953-A1 ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THATREOF AS A2AR AGONISTS Forest Laboratories Holdings Limited (BM) 2012-05-09 EP disclosed
WO-2011002917-A1 ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2A R AGONISTS PGXHEALTH, LLC (US) 2011-01-06 WO disclosed
US-20110003766-A1 ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC 2011-01-06 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-20110003766-A1 ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 P2RY1 28/4885ADORA1 3/4885P2RY2 30/4885

“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.