SCHEMBL599249

SCHEMBL599249

CC(C)C(C1CC(n2cnc3c(N)ncnc32)C1)C(O[SiH3])(C(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.50
PI4KA P42356 3/20 0.48
PI4K2B Q8TCG2 3/20 0.48
PI4K2A Q9BTU6 3/20 0.48
PI4KB Q9UBF8 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 2/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AHCY P23526 5/20 0.42
ADCY5 O95622 3/20 0.41

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
SCHEMBL599251 1.00 ADORA2A (0.50) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL599250 0.80 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL598755 0.77 ADORA2A (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL599247 0.74 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL9470633 0.70 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL600631 0.69 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28984637 0.69 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6045512 0.68 ADCY5 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6045801 0.68 ADCY5 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6045575 0.68 ADCY5 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB

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 4 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
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
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

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 623/4885PI4KA 1116/4885PI4K2B 1114/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD ADORA2A 570/4885PI4KA 1271/4885PI4K2B 1293/4885

“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.