SCHEMBL5359002

SCHEMBL5359002

COC(=O)c1nc2c(N)nc(CCc3ccccc3)nc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
ADORA1 P30542 4/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
RNASEH1 O60930 1/20 0.40
MGLL Q99685 1/20 0.38
PLA2G2A P14555 3/20 0.38
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5359005 0.82 MMP2 (0.47) MMP2RNASEH1PLA2G2ACYP1A2SMN1; SMN2
SCHEMBL5358350 0.80 FBP1 (0.46) MMP2ADORA1ADORA2AADORA2BCA1
SCHEMBL5358009 0.76 ADORA1 (0.43) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL5364353 0.76 ADORA1 (0.43) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL5357833 0.74 ADORA1 (0.42) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL5362133 0.72 FBP1 (0.46) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL5369183 0.72 ADORA1 (0.38) MMP2ADORA1ADORA2AADORA2B
SCHEMBL6346439 0.70 FBP1 (0.46) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL5860308 0.67 MAPT (0.42) MMP2ADORA2ASMN1; SMN2
SCHEMBL20275399 0.65 MAPT (0.40) MMP2ADORA1ADORA2AADORA2BSMN1; SMN2

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-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 MMP2 2493/4885ADORA1 127/4885ADORA2A 319/4885

“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.