SCHEMBL19049954

SCHEMBL19049954

CO[C@H]1C(n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]2C(O)[C@@]21O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 4/20 0.51
▸ HPGD P15428 1/20 0.49
▸ NT5E P21589 1/20 0.49
▸ STING1 Q86WV6 4/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL22968509 0.87 STING1 (0.52) HINT1HPGDNT5ESTING1PDE3B
SCHEMBL20154882 0.87 STING1 (0.52) HINT1HPGDNT5ESTING1PDE3B
SCHEMBL19049970 0.82 STING1 (0.42) HINT1HPGDSTING1GSK3ARPS6KA3
SCHEMBL19050071 0.81 STING1 (0.41) HINT1HPGDNT5ESTING1PDE3B
SCHEMBL19050067 0.78 STING1 (0.38) HINT1HPGDNT5ESTING1
Guanosine SCHEMBL1030863 0.78 HPGD (0.63) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL19049891 0.78 STING1 (0.52) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL20154870 0.78 HINT1 (0.52) HINT1NT5ESTING1PDE3BPDE3A
SCHEMBL19049941 0.77 HINT1 (0.50) HINT1HPGDNT5ESTING1PDE3B
SCHEMBL24247674 0.77 HINT1 (0.57) HINT1HPGDNT5ESTING1PDE3B

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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — 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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 HINT1 620/4885HPGD 2394/4885NT5E 33/4885

“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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