SCHEMBL2431896

SCHEMBL2431896

CN(C)S(=O)(=O)c1cccc(Nc2nccc(Cl)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
TNNI3K Q59H18 3/20 0.51
EPHB4 P54760 5/20 0.48
SYK P43405 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.46
CDK2 P24941 1/20 0.46
EPHB2 P29323 1/20 0.46
CSK P41240 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
LYN P07948 1/20 0.46

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
SCHEMBL12325170 0.86 TNNI3K (0.46) TNNI3KEPHB4SYKCYP3A4CDK2
SCHEMBL1172227 0.86 EPHB4 (0.62) TNNI3KEPHB4SYKCYP3A4CDK2
SCHEMBL12325169 0.83 ROCK1 (0.62) EPHB4SYKCDK2JAK3LYN
SCHEMBL13395352 0.82 TNNI3K (0.56) RAB9ATNNI3KGAAALDH1A1SMN1; SMN2
SCHEMBL2436324 0.79 EPHB4 (0.49) TNNI3KEPHB4SYKCYP3A4JAK3
SCHEMBL12334574 0.78 TNNI3K (0.53) TNNI3KEPHB4SYKCYP3A4CDK2
SCHEMBL15570333 0.78 SYK (0.80) SYK
SCHEMBL18763343 0.78 KDR (0.63) CYP3A4KDRAURKA
SCHEMBL14650317 0.78 TNNI3K (0.52) TNNI3KEPHB4SYKCYP3A4CDK2
SCHEMBL12325152 0.77 ALDH1A1 (0.54) GAAALDH1A1SMN1; SMN2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 RAB9A 1186/4885TNNI3K 28/4885EPHB4 2462/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 RAB9A 1080/4885TNNI3K 53/4885EPHB4 1932/4885

“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.