SCHEMBL16787420

SCHEMBL16787420

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.52
▸ HPGD P15428 1/20 0.48
▸ IMPDH2 P12268 6/20 0.47
▸ IMPDH1 P20839 2/20 0.47
▸ HINT1 P49773 3/20 0.45
▸ NT5E P21589 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TGM2 P21980 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ RPS6KA3 P51812 2/20 0.41
▸ MAPK14 Q16539 2/20 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
SCHEMBL16787413 0.92 AHCY (0.59) AHCYHPGDIMPDH2IMPDH1HINT1
SCHEMBL16787417 0.89 AHCY (0.49) AHCYHPGDIMPDH2IMPDH1HINT1
SCHEMBL16787419 0.84 AHCY (0.39) AHCYHPGDIMPDH2IMPDH1HINT1
SCHEMBL17439986 0.82 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL16113892 0.82 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL16113889 0.82 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL17469466 0.82 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL13833306 0.82 AHCY (0.64) AHCYHPGDHINT1NT5ETGM2
SCHEMBL16787423 0.82 HINT1 (0.49) AHCYHPGDIMPDH2IMPDH1HINT1
SCHEMBL16787412 0.79 ALDH1A1 (0.43) AHCYHPGDIMPDH2IMPDH1HINT1

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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