SCHEMBL16840864

SCHEMBL16840864

CN(C)C=Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](NCc3ccccc3)C2O)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ ADORA3 P0DMS8 3/20 0.45
▸ NPEPPS P55786 3/20 0.44
▸ SLC29A1 Q99808 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADORA2A P29274 3/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ANPEP P15144 2/20 0.43
▸ PGK1 P00558 1/20 0.42
▸ PGK2 P07205 1/20 0.42
▸ IMPDH2 P12268 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
SCHEMBL16822303 1.00 HINT1 (0.48) HINT1HPGDADORA3NPEPPSSLC29A1
SCHEMBL19035636 1.00 HINT1 (0.48) HINT1HPGDADORA3NPEPPSSLC29A1
SCHEMBL16822302 1.00 HINT1 (0.48) HINT1HPGDADORA3NPEPPSSLC29A1
SCHEMBL19146430 0.87 HINT1 (0.41) HINT1HPGDADORA3NPEPPSSLC29A1
SCHEMBL19035724 0.84 HPGD (0.64) HINT1HPGDADORA3TP53ADORA2A
SCHEMBL7259250 0.84 HPGD (0.64) HINT1HPGDADORA3TP53ADORA2A
SCHEMBL16840859 0.84 HPGD (0.64) HINT1HPGDADORA3TP53ADORA2A
SCHEMBL22571072 0.84 HPGD (0.64) HINT1HPGDADORA3TP53ADORA2A
SCHEMBL7259261 0.84 HPGD (0.64) HINT1HPGDADORA3TP53ADORA2A
SCHEMBL19035723 0.84 HPGD (0.64) HINT1HPGDADORA3TP53ADORA2A

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-9688715-B2 Synthetic pGpG analogs, methods of preparation and methods of use Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 — — US disclosed
US-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-06-25 — — 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-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE MRPL21, PGLS, CFTR HINT1 1449/4885HPGD 341/4885ADORA3 905/4885

“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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