SCHEMBL14713459

SCHEMBL14713459

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.48
▸ PDE5A O76074 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ADORA3 P0DMS8 3/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL20626279 0.92 SLC29A1 (0.47) SLC29A1PDE5AMAPTADORA3AURKA
SCHEMBL20626278 0.92 SLC29A1 (0.47) SLC29A1PDE5AMAPTADORA3AURKA
SCHEMBL14714122 0.92 SLC29A1 (0.47) SLC29A1PDE5AMAPTADORA3AURKA
SCHEMBL14713450 0.88 SLC29A1 (0.53) SLC29A1ADORA3ALDH1A1TSHR
SCHEMBL14713445 0.87 SLC29A1 (0.48) SLC29A1ADORA3ADORA1PRKAG1PRKAA1
SCHEMBL14713454 0.83 PAX8 (0.54) SLC29A1ADORA3ADORA1TSHR
SCHEMBL20626495 0.81 SLC29A1 (0.68) SLC29A1PRKAG1PRKAA1PRKAB1
SCHEMBL14713458 0.81 SLC29A1 (0.68) SLC29A1PRKAG1PRKAA1PRKAB1
SCHEMBL20626449 0.80 SLC29A1 (0.52) SLC29A1ADORA3PRKAG1PRKAA1PRKAB1
SCHEMBL13467264 0.80 AURKA (0.46) SLC29A1PDE5AMAPTADORA3AURKA

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 267/4885PDE5A 242/4885MAPT 117/4885

“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.

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