SCHEMBL3277903

SCHEMBL3277903

CC(CO)(CO)Nc1ncc2c(n1)NC(=O)NC2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MB P02144 2/20 0.41
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 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
SCHEMBL3278084 0.90 MB (0.41) MBP2RX3P2RX2
SCHEMBL3278249 0.87 MB (0.43) MB
SCHEMBL3282567 0.80 MB (0.41) MBP2RX3P2RX2
SCHEMBL3278321 0.80 MB (0.41) MBP2RX3P2RX2
SCHEMBL3279085 0.78 MB (0.43) MB
SCHEMBL4259154 0.74 PIM1 (0.33) P2RX3P2RX2
SCHEMBL3278304 0.72 MB (0.40) MB
SCHEMBL6074407 0.70 MB (0.49) MB
SCHEMBL5229744 0.70 MAPK14 (0.55) MB
SCHEMBL5229751 0.70 MAPK14 (0.55) MB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700768-B2 Compounds GLAXOSMITHKLINE LLC (US) 2010-04-20 US disclosed
US-7629462-B2 Tetrasubstituted pyrimidine compounds as chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20090048442-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-07-19 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 (2 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-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP MB 3456/4885P2RX3 1468/4885P2RX2 1523/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP MB 3975/4885P2RX3 2250/4885P2RX2 2219/4885

“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.