SCHEMBL16001101

SCHEMBL16001101

CCOc1nc(N)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@@]1(C)F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.51
▸ ADORA3 P0DMS8 3/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ ADORA2B P29275 3/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ ADA P00813 1/20 0.45
▸ SLC29A1 Q99808 5/20 0.44
▸ NT5E P21589 1/20 0.43
▸ PGK1 P00558 1/20 0.41
▸ PGK2 P07205 1/20 0.41
▸ ALOX15 P16050 1/20 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
SCHEMBL29722605 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL930687 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL14785979 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL19644951 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL13030120 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL17109574 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL15948782 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL18656252 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL17117139 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19
SCHEMBL18656228 1.00 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2BCYP2C19

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-9339541-B2 Thiophosphate nucleosides for the treatment of HCV MERCK SHARP & DOHME CORP. (US) 2016-05-17 — — US disclosed
US-20140248242-A1 THIOPHOSPHATE NUCLEOSIDES FOR THE TREATMENT OF HCV INDENIX PHARMACEUTICALS LLC 2014-09-04 — — 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-20140248242-A1 THIOPHOSPHATE NUCLEOSIDES FOR THE TREATMENT OF HCV PNP, MTAP, TYMP ADORA2A 125/4885ADORA3 199/4885ADORA1 321/4885

“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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