SCHEMBL2556536

SCHEMBL2556536

Nc1ncnc2c1ncn2C[C@@H](O)CF

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.76
ADORA2A P29274 7/20 0.76
ADORA1 P30542 4/20 0.69
ALDH1A1 P00352 1/20 0.64
PI4KA P42356 2/20 0.56
PI4K2B Q8TCG2 2/20 0.56
PI4K2A Q9BTU6 2/20 0.56
PI4KB Q9UBF8 2/20 0.56
ADORA2B P29275 1/20 0.54
CYP3A4 P08684 1/20 0.52

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
SCHEMBL2556539 1.00 AHCY (0.76) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL16603993 0.91 AHCY (0.85) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL13394189 0.88 ADORA2A (0.76) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL14963614 0.88 ADORA2A (0.76) AHCYADORA2AADORA1ALDH1A1PI4KA
(S)-Dhpa SCHEMBL936286 0.87 AHCY (1.00) AHCYADORA2AADORA1ALDH1A1PI4KA
(S)-Dhpa SCHEMBL936287 0.87 AHCY (1.00) AHCYADORA2AADORA1ALDH1A1PI4KA
(S)-Dhpa SCHEMBL28605202 0.87 AHCY (1.00) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL13394191 0.84 AHCY (0.79) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL6040056 0.83 ADORA2A (0.75) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL13394190 0.83 ADORA2A (0.72) AHCYADORA2AADORA1ALDH1A1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-06 US disclosed
US-9475832-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-25 US disclosed
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION 2015-03-19 US disclosed
US-8846643-B2 Phosphonates with reduced toxicity for treatment of viral infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-30 US disclosed
EP-2558466-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS The Regents of the University of California (US) 2013-02-20 EP disclosed
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-31 US disclosed
WO-2011130557-A2 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-20 WO 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 (3 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-20170096441-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP AHCY 727/4885ADORA2A 1171/4885ADORA1 1205/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP AHCY 727/4885ADORA2A 1171/4885ADORA1 1205/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP AHCY 727/4885ADORA2A 1171/4885ADORA1 1205/4885

“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.