SCHEMBL10047656

SCHEMBL10047656

CP1(=O)CO[C@@H](Cn2cnc3c(N)ncnc32)CO1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
ADORA1 P30542 4/20 0.47
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
ADORA2B P29275 1/20 0.45
STING1 Q86WV6 3/20 0.42
AHCY P23526 3/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
GMNN O75496 1/20 0.40
RAPGEF3 O95398 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL10073562 0.87 FGFR1 (0.54) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2548099 0.80 ADORA2A (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20509524 0.80 ALDH1A1 (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20509528 0.80 ALDH1A1 (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20511792 0.78 ALDH1A1 (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20511788 0.78 ALDH1A1 (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20509505 0.77 ADK (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20509501 0.77 ADK (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL20470308 0.77 FGFR1 (0.46) ADORA2AADORA1ADORA2BSTING1ALDH1A1
SCHEMBL1105218 0.77 FGFR1 (0.49) ALDH1A1LMNAGMNNBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 US disclosed
US-20130072458-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. (US) 2013-03-21 US disclosed
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors CHIMERIX, INC. (US) 2012-06-28 US disclosed
US-20120165295-A1 Compounds, Compositions and Methods for Treating Ocular Conditions CHIMERIX, INC. (US) 2012-06-28 US disclosed
US-7994143-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2011-08-09 US disclosed
WO-2011053812-A1 METHODS OF TREATING VIRAL ASSOCIATED DISEASES CHIMERIX, INC. (US) 2011-05-05 WO disclosed
WO-2011017253-A1 COMPOSITION AND METHODS OF TREATING VIRAL INFECTIONS AND VIRAL INDUCED TUMORS CHIMERIX, INC. (US) 2011-02-10 WO disclosed
WO-2011011519-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OCULAR CONDITIONS CHIMERIX, INC. (US) 2011-01-27 WO disclosed
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2010-09-30 US disclosed
US-7749983-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2010-07-06 US disclosed
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2008-01-10 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 (6 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-20130072458-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP ADORA2A 914/4885ADORA1 900/4885PI4KA 4577/4885
US-20120165295-A1 Compounds, Compositions and Methods for Treating Ocular Conditions EYA3, EYA2, PDE6C ADORA2A 1778/4885ADORA1 1097/4885PI4KA 2898/4885
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 ADORA2A 565/4885ADORA1 975/4885PI4KA 143/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP ADORA2A 914/4885ADORA1 900/4885PI4KA 4577/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 ADORA2A 754/4885ADORA1 1146/4885PI4KA 2344/4885
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 ADORA2A 565/4885ADORA1 975/4885PI4KA 143/4885

“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.