SCHEMBL10073562

SCHEMBL10073562

Nc1ncnc2c1ncn2C[C@H]1COP(=O)(O)CO1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.54
STING1 Q86WV6 4/20 0.47
ADORA2A P29274 6/20 0.45
ADORA1 P30542 4/20 0.45
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45
RAPGEF3 O95398 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ADORA2B P29275 1/20 0.42
OR51E2 Q9H255 1/20 0.42
AHCY P23526 4/20 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
SCHEMBL10047656 0.87 ADORA2A (0.47) STING1ADORA2AADORA1LMNAGMNN
SCHEMBL31204173 0.81 FGFR1 (0.55) FGFR1STING1AHCY
SCHEMBL2548099 0.80 ADORA2A (0.44) FGFR1STING1ADORA2AADORA1LMNA
SCHEMBL20509528 0.80 ALDH1A1 (0.44) STING1ADORA2AADORA1LMNAGMNN
SCHEMBL20509524 0.80 ALDH1A1 (0.44) STING1ADORA2AADORA1LMNAGMNN
SCHEMBL20509972 0.78 ALDH1A1 (0.43) STING1ADORA2AADORA1ALDH1A1AHCY
SCHEMBL20511792 0.78 ALDH1A1 (0.43) STING1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL20509492 0.78 ALDH1A1 (0.43) STING1ADORA2AADORA1ALDH1A1AHCY
SCHEMBL20509963 0.78 ALDH1A1 (0.43) STING1ADORA2AADORA1ALDH1A1AHCY
SCHEMBL20509497 0.78 ALDH1A1 (0.43) STING1ADORA2AADORA1ALDH1A1AHCY

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
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
US-8940313-B2 Tyrosine-based prodrugs of antiviral agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-01-27 US disclosed
US-8940313-B2 Tyrosine-based prodrugs of antiviral agents UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-01-27 US disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-20130072458-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. (US) 2013-03-21 US disclosed
US-20120165295-A1 Compounds, Compositions and Methods for Treating Ocular Conditions CHIMERIX, INC. (US) 2012-06-28 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-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA 2011-10-27 US disclosed
US-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA 2011-10-27 US disclosed
WO-2011133963-A2 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-10-27 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 (5 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 FGFR1 4116/4885STING1 24/4885ADORA2A 914/4885
US-20120165295-A1 Compounds, Compositions and Methods for Treating Ocular Conditions EYA3, EYA2, PDE6C FGFR1 1923/4885STING1 277/4885ADORA2A 1778/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP FGFR1 4116/4885STING1 24/4885ADORA2A 914/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 FGFR1 1945/4885STING1 8/4885ADORA2A 754/4885
US-20110263535-A1 TYROSINE-BASED PRODRUGS OF ANTIVIRAL AGENTS TYMP, MTAP, TK1 FGFR1 968/4885STING1 207/4885ADORA2A 170/4885

“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.