SCHEMBL7052872

SCHEMBL7052872

CCCC(=O)Nc1nc(=O)[nH]cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
GSK3B P49841 11/20 0.43
CYP1A2 P05177 3/20 0.42
CDK2 P24941 4/20 0.42
CDK1 P06493 3/20 0.42
CDK5 Q00535 3/20 0.42
DYRK1A Q13627 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
MAP4K4 O95819 2/20 0.42
LIMK1 P53667 2/20 0.42
GSK3A P49840 1/20 0.42
STK17A Q9UEE5 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
FLT4 P35916 2/20 0.41
MAPK8 P45983 2/20 0.41
CLK2 P49760 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41
SLK Q9H2G2 2/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL18325610 0.88 XDH (0.50) MAPK1ALDH1A1
SCHEMBL2221557 0.87 ADORA3 (0.41) ADORA2AADORA1CYP1A2ADORA3MAPK1
SCHEMBL31260667 0.86 ALDH1A1 (0.45) ADORA1GSK3BCYP1A2CDK2CDK1
SCHEMBL18325670 0.82 XDH (0.39)
SCHEMBL7905802 0.81 HDAC1 (0.49)
SCHEMBL1225985 0.78 GDA (0.36) ADORA2ACYP1A2DYRK1AADORA3ALDH1A1
SCHEMBL7062391 0.78 LMNA (0.42) CYP1A2MAPK1CSNK2A1TP53ALDH1A1
SCHEMBL7063733 0.77 ALDH1A1 (0.43) CYP1A2ADORA3MAPK1ALDH1A1
SCHEMBL7064550 0.76 LMNA (0.47) CYP1A2MAPK1NPSR1ALDH1A1
SCHEMBL2440388 0.75 LMNA (0.52) CYP1A2MAPK1CSNK2A1ALDH1A1

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-6600044-B2 Such as cis-(-)-4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone (lamivudine, 3TC) or emtricitabine via anomerization/transglycosylation BRANTFORD CHEMICALS INC. 2003-07-29 US disclosed
US-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers APOTEX PHARMACHEM INC (CA) 2003-01-16 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-20030013880-A1 Process for recovery of the desired cis-1,3-oxathiolane nucleosides from their undesired trans-isomers SLC29A1, NUDT1, SLC28A1 ADORA2A 100/4885ADORA1 62/4885GSK3B 878/4885

“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.