SCHEMBL16787413

SCHEMBL16787413

Cc1nc2c(ncn2[C@@H]2O[C@H](CN=[N+]=[N-])C(O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.59
▸ HPGD P15428 1/20 0.56
▸ IMPDH2 P12268 7/20 0.53
▸ IMPDH1 P20839 2/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ HINT1 P49773 3/20 0.49
▸ NT5E P21589 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TGM2 P21980 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
SCHEMBL16787417 0.92 AHCY (0.49) AHCYHPGDIMPDH2IMPDH1TAS1R3
SCHEMBL16787420 0.92 AHCY (0.52) AHCYHPGDIMPDH2IMPDH1TAS1R3
SCHEMBL17439986 0.88 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL13833306 0.88 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL16113892 0.88 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL17469466 0.88 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL16113889 0.88 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL25890762 0.85 FUT5 (0.58) IMPDH2IMPDH1TAS1R3TAS1R1NT5E
SCHEMBL10118075 0.84 HPGD (0.76) HPGDIMPDH2IMPDH1NT5EADORA3
SCHEMBL16787414 0.84 HPGD (0.76) HPGDIMPDH2IMPDH1NT5EADORA3

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-9315523-B2 Cyclic dinucleosides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 — — US disclosed
US-20150158886-A1 CYCLIC DINUCLEOSIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-06-11 — — 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-20150158886-A1 CYCLIC DINUCLEOSIDES POLN, DUT, DDX21 AHCY 4671/4885HPGD 800/4885IMPDH2 197/4885

“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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