SCHEMBL21140823

SCHEMBL21140823

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(N)nc(F)nc32)O[C@]1(C)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.46
LMNA P02545 2/20 0.43
NT5E P21589 2/20 0.43
HIF1A Q16665 1/20 0.43
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
CA5A P35218 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PNP P00491 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHKA P35790 2/20 0.36
DNMT1 P26358 1/20 0.34
DNMT3B Q9UBC3 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL9548797 0.92 AHCY (0.44) AHCYLMNANT5EADORA3ADORA2A
SCHEMBL25395202 0.91 AHCY (0.46) AHCYLMNANT5EHIF1AADORA3
SCHEMBL26274323 0.91 AHCY (0.46) AHCYLMNANT5EHIF1AADORA3
SCHEMBL21141081 0.90 AHCY (0.41) AHCYLMNANT5EHIF1AADORA3
SCHEMBL21141082 0.90 PNP (0.39) AHCYLMNAADORA3ADORA2AADORA2B
SCHEMBL21058113 0.87 AHCY (0.42) AHCYLMNANT5EHIF1AADORA3
SCHEMBL24822036 0.87 AHCY (0.42) AHCYLMNANT5EHIF1AADORA3
SCHEMBL28679616 0.87 AHCY (0.42) AHCYLMNANT5EHIF1AADORA3
SCHEMBL9548793 0.86 ADA (0.47) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL9548784 0.86 ADA (0.47) AHCYADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 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 (1 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-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, DIMT1, POLRMT AHCY 525/4885LMNA 3345/4885NT5E 1053/4885

“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.