SCHEMBL6244010

SCHEMBL6244010

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.50
PRKAG1 P54619 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAA1 Q13131 2/20 0.50
PRKAG3 Q9UGI9 2/20 0.50
PRKAG2 Q9UGJ0 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
MARS1 P56192 1/20 0.47
GSK3A P49840 2/20 0.46
RPS6KA3 P51812 2/20 0.46
MAPK14 Q16539 2/20 0.46
PRKACA P17612 2/20 0.46
DNPH1 O43598 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA1 P30542 3/20 0.46
TRPM2 O94759 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
SCHEMBL6244016 1.00 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29387664 0.91 MARS1 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9052982 0.91 MARS1 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6237505 0.89 MARS1 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6237498 0.89 MARS1 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23982336 0.89 MARS1 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5465292 0.88 PRKAB2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9123006 0.88 PRKAB2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9658527 0.86 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28705299 0.84 GSK3A (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 2 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

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 PRKAB2 1144/4885PRKAG1 1161/4885PRKAA2 1995/4885

“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.