SCHEMBL6237498

SCHEMBL6237498

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.60
P2RY1 P47900 4/20 0.59
ADORA1 P30542 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
P2RY2 P41231 3/20 0.59
SRC P12931 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PDE4D Q08499 1/20 0.59
KCNH2 Q12809 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PDE3A Q14432 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59

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
SCHEMBL23982336 1.00 MARS1 (0.60) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL6237505 1.00 MARS1 (0.60) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL31001632 0.91 P2RY1 (0.71) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL5550634 0.91 P2RY1 (0.71) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL11584743 0.91 P2RY1 (0.71) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL219554 0.91 P2RY1 (0.71) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL6244016 0.89 PRKAB2 (0.50) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL6244010 0.89 PRKAB2 (0.50) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL9300768 0.88 PRKAB2 (0.56) MARS1P2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL5455528 0.88 PRKAB2 (0.56) MARS1P2RY1ADORA1SMN1; SMN2P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171126-A1 Process for the production of purine nucleoside compounds AJINOMOTO CO., INC. (JP) 2005-08-04 US disclosed
EP-1550665-A1 A process for the production of purine nucleoside compounds Ajinomoto Co., Inc. (JP) 2005-07-06 EP disclosed
US-5310895-A Cyclodextrin present in basic solution AJINOMOTO CO., INC. (JP) 1994-05-10 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-20050171126-A1 Process for the production of purine nucleoside compounds PNP, NUDT1, UMPS MARS1 1570/4885P2RY1 223/4885ADORA1 587/4885

“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.