SCHEMBL5694101

SCHEMBL5694101

C=CCOC(=O)n1cnc2c(N)nc(F)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.39
NT5E P21589 2/20 0.38
LMNA P02545 2/20 0.38
HIF1A Q16665 1/20 0.38
ADORA2A P29274 2/20 0.38
CA5A P35218 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
SERPINA3 P01011 1/20 0.35
GSK3B P49841 1/20 0.35
CHKA P35790 2/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5694096 0.85 CDK1 (0.45) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL5694260 0.81 GSK3B (0.56) AHCYADORA2AADORA1GSK3BALDH1A1
SCHEMBL5694066 0.77 PNP (0.48) LMNAHIF1AMAPK1ALDH1A1TSHR
SCHEMBL5694228 0.74 AHCY (0.46) AHCYNT5ELMNAHIF1AADORA2A
SCHEMBL8647120 0.71 CDK1 (0.54) AHCYNT5EADORA2AADORA1GSK3B
SCHEMBL5999274 0.71 CDK1 (0.45) AHCYNT5ELMNAHIF1AADORA2A
SCHEMBL7122663 0.69 ALDH1A1 (0.35) LMNARAB9AMAPK1ALDH1A1TSHR
SCHEMBL5694058 0.69 EGFR (0.42) AHCYNT5ELMNAHIF1AADORA2A
SCHEMBL27362838 0.69 ALDH1A1 (0.39) LMNARAB9AMAPK1ALDH1A1TSHR
SCHEMBL7624342 0.66 AHCY (0.50) AHCYNT5ELMNAHIF1AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 EP 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-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB AHCY 3038/4885NT5E 1192/4885LMNA 321/4885

“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.