SCHEMBL16021599

SCHEMBL16021599

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
HPGD P15428 2/20 0.47
HINT1 P49773 1/20 0.45
NT5E P21589 1/20 0.45
ADORA2A P29274 2/20 0.44
PNP P00491 2/20 0.42
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK14 Q16539 2/20 0.42
POLB P06746 1/20 0.42
HPRT1 P00492 1/20 0.42
STING1 Q86WV6 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TGM2 P21980 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
SCHEMBL12151814 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL15788003 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL12149979 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL1375512 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL12281166 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL1375510 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL12194531 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL16023838 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL20977459 1.00 ADORA3 (0.48) ADORA3HPGDHINT1NT5EADORA2A
SCHEMBL15045985 0.89 HINT1 (0.48) ADORA3HPGDHINT1NT5EPNP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691409-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2018-02-21 EP disclosed
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 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-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 ADORA3 1822/4885HPGD 403/4885HINT1 337/4885

“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.