SCHEMBL5083033

SCHEMBL5083033

CCC(CO)(OC(c1ccccc1)(c1ccccc1)c1cccc(OC)c1)n1cnc2c(NC(c3ccccc3)(c3ccccc3)c3ccccc3OC)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK1 P06493 1/20 0.32
KCNA5 P22460 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
DYRK3 O43781 1/20 0.30
MAP4K4 O95819 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL5080052 0.82 KCNA5 (0.30) KCNA5
SCHEMBL5083036 0.75 CDK1 (0.34) CDK1ADORA2AADORA1
SCHEMBL5083697 0.72 CCNB2 (0.39) KDM4EMEN1MITFLMNAMAPT
SCHEMBL9123972 0.69 MAPK1 (0.42) KDM4EMEN1MITFLMNAMAPT
SCHEMBL5086114 0.66 HPRT1 (0.37) KDM4EMEN1MITFLMNAMAPT
SCHEMBL9125696 0.65 MAPK1 (0.43) KDM4EMEN1MITFLMNAMAPT
SCHEMBL5083559 0.65 CDK1 (0.35) KDM4EMEN1MITFLMNAMAPT
SCHEMBL3183798 0.65 HIF1A (0.51)
SCHEMBL16987294 0.64 KIF11 (0.43) KDM4EMEN1LMNAMAPTMAPK1
SCHEMBL14175360 0.64 CDK1 (0.48) MAPK1CDK1EGFRMAPK8CDK7

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-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-08 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-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases POLR2H, NSUN2, POLR2E KDM4E 1919/4885MEN1 4083/4885MITF 1467/4885

“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.