SCHEMBL600631

SCHEMBL600631

CC(OCc1ccccc1)C1CC(n2cnc3c(N)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.49
AHCY P23526 4/20 0.47
PI4KA P42356 4/20 0.47
PI4K2B Q8TCG2 4/20 0.47
PI4K2A Q9BTU6 4/20 0.47
PI4KB Q9UBF8 4/20 0.47
ADORA3 P0DMS8 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2B P29275 2/20 0.47
ADCY5 O95622 2/20 0.45
DOT1L Q8TEK3 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL15942373 0.81 ADCY5 (0.57) ADORA2AAHCYPI4KAPI4K2BPI4K2A
SCHEMBL15942372 0.81 ADCY5 (0.57) ADORA2AAHCYPI4KAPI4K2BPI4K2A
SCHEMBL599247 0.78 ADORA2A (0.56) ADORA2AAHCYPI4KAPI4K2BPI4K2A
SCHEMBL600632 0.78 ADCY5 (0.51) ADORA2AAHCYPI4KAPI4K2BPI4K2A
SCHEMBL600633 0.78 ADCY5 (0.51) ADORA2AAHCYPI4KAPI4K2BPI4K2A
SCHEMBL598755 0.76 ADORA2A (0.62) ADORA2AAHCYPI4KAPI4K2BPI4K2A
SCHEMBL19714891 0.75 AHCY (0.50) AHCYADCY5CYP1A2CYP3A4NFKB1
SCHEMBL19746003 0.75 AHCY (0.52) ADORA2AAHCYADCY5
SCHEMBL19714895 0.74 AHCY (0.51) AHCYADCY5CYP1A2CYP3A4NFKB1
SCHEMBL19714896 0.74 AHCY (0.51) AHCYADCY5CYP1A2CYP3A4NFKB1

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 ADORA2A 623/4885AHCY 1025/4885PI4KA 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 ADORA2A 570/4885AHCY 939/4885PI4KA 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.