SCHEMBL600633

SCHEMBL600633

Nc1ncnc2c1ncn2C1CC(CCOCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 6/20 0.51
ADORA2A P29274 7/20 0.50
PI4KA P42356 4/20 0.48
PI4K2B Q8TCG2 4/20 0.48
PI4K2A Q9BTU6 4/20 0.48
PI4KB Q9UBF8 4/20 0.48
ADORA3 P0DMS8 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 2/20 0.48
AHCY P23526 3/20 0.48

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
SCHEMBL600632 1.00 ADCY5 (0.51) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL15942373 0.82 ADCY5 (0.57) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL15942372 0.82 ADCY5 (0.57) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10220090 0.81 ADORA2A (0.55) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL19746003 0.80 AHCY (0.52) ADCY5ADORA2AAHCY
SCHEMBL600631 0.78 ADORA2A (0.49) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL598757 0.77 ADORA2A (0.62) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL598756 0.77 ADORA2A (0.62) ADCY5ADORA2API4KAPI4K2BPI4K2A
SCHEMBL19714895 0.77 AHCY (0.51) ADCY5AHCY
SCHEMBL19714896 0.77 AHCY (0.51) ADCY5AHCY

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-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
EP-1828145-A4 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION UNIV EMORY (US) 2009-08-19 EP disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
EP-1828145-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2007-09-05 EP disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 US disclosed
WO-2006063281-A2 2' AND 3' - SUBSTITUTED CYCLOBUTYL NUCLEOSIDE ANALOGS FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION EMORY UNIVERSITY (US) 2006-06-15 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 (2 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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA ADCY5 4302/4885ADORA2A 623/4885PI4KA 1116/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD ADCY5 4127/4885ADORA2A 570/4885PI4KA 1271/4885

“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.