SCHEMBL3278092

SCHEMBL3278092

CC(C)(CO)Nc1ncc2c(n1)NCNC2=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 2/20 0.36
HSD11B1 P28845 3/20 0.35
PIM1 P11309 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
PIM3 Q86V86 1/20 0.33
KIF18A Q8NI77 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
MAPK1 P28482 2/20 0.32
LATS1 O95835 2/20 0.30
LATS2 Q9NRM7 2/20 0.30
SYK P43405 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
SCHEMBL4259154 0.90 PIM1 (0.33) PIM1PIM2P2RX3P2RX2LATS1
SCHEMBL3282577 0.79 MAPK1 (0.37) P2RX3P2RX2MAPK1SYK
SCHEMBL3278084 0.74 MB (0.41) NPSR1MEN1KMT2AMAPK14HSD11B1
SCHEMBL21681868 0.65 NPSR1 (0.45) NPSR1MEN1KMT2AMAPK14HSD11B1
SCHEMBL24345747 0.64 NPSR1 (0.41) NPSR1MEN1KMT2AMAPK14HSD11B1
SCHEMBL3277903 0.64 MB (0.41) P2RX3P2RX2
SCHEMBL21047131 0.64 NPSR1 (0.44) NPSR1MEN1KMT2AMAPK14HSD11B1
SCHEMBL3278249 0.63 MB (0.43)
SCHEMBL3278309 0.62 MKNK1 (0.49) MEN1KMT2A
SCHEMBL29045311 0.62 NPSR1 (0.40) NPSR1MEN1KMT2AMAPK14HSD11B1

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 NPSR1 3100/4885MEN1 4717/4885KMT2A 3558/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP NPSR1 3849/4885MEN1 4834/4885KMT2A 3486/4885

“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.