SCHEMBL3284347

SCHEMBL3284347

CSc1nc(Nc2ccccc2)c(C#N)c(-c2ccccc2)n1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.86
THRB P10828 1/20 0.86
LMNA P02545 1/20 0.80
ADORA2A P29274 10/20 0.57
ADORA1 P30542 8/20 0.57
ADORA2B P29275 6/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA13 Q8N1Q1 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
CA7 P43166 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL19665219 0.84 RXFP1 (0.64) RXFP1THRBLMNAADORA2AADORA1
SCHEMBL3277717 0.82 CA1 (0.68) RXFP1THRBLMNAADORA2AADORA1
SCHEMBL6218562 0.77 KMT2A (0.76) RXFP1THRBLMNAADORA2AADORA1
SCHEMBL3285107 0.77 LMNA (0.54) RXFP1THRBLMNA
SCHEMBL1060600 0.76 RXFP1 (0.53) RXFP1THRBLMNACA1CA2
SCHEMBL5257876 0.72 KDM4E (0.54) RXFP1THRBLMNACA1CA2
SCHEMBL1940331 0.71 LMNA (0.73) RXFP1THRBLMNACA1CA2
SCHEMBL2716692 0.70 RXFP1 (0.55) RXFP1THRBLMNACA1CA2
SCHEMBL2717013 0.69 CA1 (0.69) RXFP1THRBLMNACA1CA2
SCHEMBL2729885 0.69 RXFP1 (0.70) RXFP1THRBLMNACA1CA2

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 12 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-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
US-7235551-B2 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 (US) 2007-06-26 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
EP-1265900-A4 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) 2004-11-10 EP disclosed
US-20030100756-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 GLAXOSMITHKLINE LLC 2003-05-29 US disclosed
EP-1265900-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 (US) 2002-12-18 EP disclosed
WO-2001064679-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 (US) 2001-09-07 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 (4 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-20030100756-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, MAPK4, MAP4K2 RXFP1 3268/4885THRB 1818/4885LMNA 3558/4885
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 RXFP1 3565/4885THRB 1442/4885LMNA 3202/4885
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 RXFP1 3565/4885THRB 1442/4885LMNA 3202/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP RXFP1 3602/4885THRB 1162/4885LMNA 4171/4885

“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.