SCHEMBL2552941

SCHEMBL2552941

COC[C@@H](O)Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.57
CDK2 P24941 5/20 0.57
CDK1 P06493 4/20 0.57
CCNB1 P14635 4/20 0.57
AHCY P23526 3/20 0.48
ADORA2A P29274 2/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ADORA1 P30542 1/20 0.46
HPRT1 P00492 1/20 0.44
SLC29A1 Q99808 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2552058 1.00 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL16131314 1.00 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL2554652 0.87 CCNE1 (0.58) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL14659477 0.87 HSP90AB1 (0.49) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL23710566 0.83 AHCY (0.68) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL2554686 0.83 ADORA2A (0.71) AHCYADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL16578129 0.83 ADORA2A (0.71) AHCYADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL2554197 0.83 ADORA2A (0.71) AHCYADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL7263234 0.82 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1AHCY
SCHEMBL7263232 0.82 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1AHCY

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 CCNE1 1470/4885CDK2 952/4885CDK1 1270/4885
US-20130029940-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CCNE1 1470/4885CDK2 952/4885CDK1 1270/4885
US-20150080344-A1 PHOSPHONATES WITH REDUCED TOXICITY FOR TREATMENT OF VIRAL INFECTIONS POLRMT, PNP, MTAP CCNE1 1470/4885CDK2 952/4885CDK1 1270/4885

“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.