SCHEMBL14714122

SCHEMBL14714122

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)OCO5)ncnc32)C[C@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.47
▸ PRKAG1 P54619 2/20 0.45
▸ PRKAA1 Q13131 2/20 0.45
▸ PRKAB1 Q9Y478 2/20 0.45
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ PDE5A O76074 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ADORA3 P0DMS8 3/20 0.42
▸ DNPH1 O43598 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL20626278 1.00 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL20626279 1.00 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL14713459 0.92 SLC29A1 (0.48) SLC29A1PRKAG1PRKAA1PRKAB1AURKA
SCHEMBL20626453 0.88 SLC29A1 (0.52) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL14714043 0.88 SLC29A1 (0.52) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL20626449 0.88 SLC29A1 (0.52) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL20626494 0.87 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL20626496 0.87 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL14714116 0.87 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13467264 0.85 AURKA (0.46) SLC29A1AURKARPS6KB1AURKBPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 — — 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-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 SLC29A1 267/4885PRKAG1 115/4885PRKAA1 341/4885

“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.

Send feedback