Cytosine

Cytosine

SCHEMBL6839375

CC(=O)Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.39
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPK8 P45983 2/20 0.37
ADORA2A P29274 3/20 0.37
ROCK2 O75116 1/20 0.37
ADORA1 P30542 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
XDH P47989 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1F P30939 1/20 0.35
PTK2 Q05397 2/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL21187 0.90 KDM4E (0.47) KDM4ELMNAPIK3C3MAPK8ADORA2A
Methane SCHEMBL27916786 0.89 KDM4E (0.46) KDM4ELMNAPIK3C3MAPK8ADORA2A
SCHEMBL1827089 0.89 KDM4E (0.46) KDM4ELMNAPIK3C3MAPK8ADORA2A
Cytosine SCHEMBL14125692 0.83 TSHR (0.42) XIAPBIRC2ADORA2AROCK2ADORA1
Cytosine SCHEMBL27595867 0.79 TSHR (0.40) XIAPBIRC2ADORA2AADORA1JAK2
Cytosine SCHEMBL4059 0.79
Cytosine SCHEMBL4657334 0.79 DYRK1A (0.44) ADORA2AADORA1MAPTAURKAJAK2
Cytosine SCHEMBL1330400 0.79
Cytosine SCHEMBL1330710 0.79
Cytosine SCHEMBL8910522 0.78 TSHR (0.43) ADORA2AADORA1JAK2CDK8CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831174-B2 Nucleosides SHIRE BIOCHEM INC. (CA) 2004-12-14 US disclosed
EP-0674634-B1 PROCESS FOR PREPARING SUBSTITUTED 1,3-OXATHIOLANES WITH ANTIVIRAL PROPERTIES IAF BIOCHEM INT (CA) 2003-04-16 EP disclosed
US-20010041797-A1 Processes for preparing substituted 1, 3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 2001-11-15 US disclosed
US-6175008-B1 VIRICIDES FROM REACTION MERCAPTOALDEHYDE WITH ACETOESTER AND 1,4-DITHIANE-2,5-DIOL BIOCHEM PHARMA INC. (CA) 2001-01-16 US disclosed
US-5684164-A CHEMICAL INTERMEDIATES BIOCHEM PHARMA INC. (CA) 1997-11-04 US disclosed
US-5466806-A Processes for preparing substituted 1,3-oxathiolanes with antiviral properties BIOCHEM PHARMA INC. (CA) 1995-11-14 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-20010041797-A1 Processes for preparing substituted 1, 3-oxathiolanes with antiviral properties TYMP, TYMS, PNP KDM4E 3414/4885LMNA 2601/4885PIK3C3 2138/4885

“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.