SCHEMBL3285107

SCHEMBL3285107

CSc1nc(Nc2ccccc2)c(CN)c(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RXFP1 Q9HBX9 2/20 0.54
THRB P10828 2/20 0.54
PPARG P37231 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SRC P12931 4/20 0.44
FYN P06241 2/20 0.44
FLT3 P36888 1/20 0.44
HCK P08631 1/20 0.42
PIM1 P11309 1/20 0.42
METAP2 P50579 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ABL1 P00519 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL1060600 0.77 RXFP1 (0.53) LMNAL3MBTL1RXFP1THRBPPARG
SCHEMBL3284347 0.77 RXFP1 (0.86) LMNARXFP1THRB
SCHEMBL25603965 0.68 NPSR1 (0.63) LMNAL3MBTL1RXFP1THRBNPSR1
SCHEMBL7849164 0.68 LMNA (0.50) LMNAL3MBTL1RXFP1THRBPPARG
SCHEMBL2714568 0.68 MAPT (0.60) LMNAL3MBTL1NPSR1MAPTGAA
SCHEMBL8061470 0.67 HTT (0.62) LMNAL3MBTL1METAP2MAPTGAA
SCHEMBL22165532 0.66 CA1 (0.42) LMNAL3MBTL1RXFP1MAPTGAA
SCHEMBL31526150 0.66 NPSR1 (0.56) LMNAL3MBTL1RXFP1THRBNPSR1
SCHEMBL3369287 0.66 DPP4 (0.61) LMNARXFP1KDM4EDPP4
SCHEMBL26938058 0.65 MAPT (0.61) LMNAL3MBTL1THRBPPARGMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629462-B2 Tetrasubstituted pyrimidine compounds as chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US claimed
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-20070238743-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 2007-10-11 US disclosed
EP-1842851-A2 Novel compounds Smithkline Beecham Corporation (US) 2007-10-10 EP 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
EP-1265900-B1 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 CORP (US) 2007-05-16 EP 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 (3 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 LMNA 3202/4885L3MBTL1 1342/4885RXFP1 3565/4885
US-20070238743-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 LMNA 3202/4885L3MBTL1 1342/4885RXFP1 3565/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP LMNA 4171/4885L3MBTL1 1147/4885RXFP1 3602/4885

“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.