SCHEMBL2514896

SCHEMBL2514896

CS(=O)(=O)c1cc(Nc2nccc(Cl)n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
CDK2 P24941 2/20 0.44
CDK4 P11802 1/20 0.44
CCNE1 P24864 1/20 0.44
SYK P43405 2/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHB4 P54760 3/20 0.40
GLO1 Q04760 1/20 0.40
EIF2AK2 P19525 1/20 0.39

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
SCHEMBL12325150 0.86 ABCB11 (0.51) AURKAAURKBCDK2SYKJAK2
SCHEMBL3304918 0.81 GSK3B (0.49) AURKAAURKBCDK2SYKMAPK1
SCHEMBL14650748 0.80 GRM4 (0.53) GRM4AURKAAURKBCDK2CDK4
SCHEMBL4621510 0.79 MAPK1 (0.61) GRM4SYKMAPK1MEN1NPC1
SCHEMBL13440365 0.78 AURKA (0.67) AURKAAURKBCDK2CDK4CCNE1
SCHEMBL9277964 0.78 BTK (0.59) AURKAAURKBCDK2CDK4CCNE1
SCHEMBL12335153 0.78 GRM4 (0.48) GRM4AURKAAURKBCDK2CDK4
SCHEMBL1172227 0.76 EPHB4 (0.62) AURKAAURKBCDK2SYKJAK3
SCHEMBL14650531 0.76 BTK (0.48) GRM4AURKAAURKBCDK2CDK4
SCHEMBL12325148 0.75 MAPK1 (0.41) AURKAAURKBCDK2CDK4CCNE1

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 6 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
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
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 GRM4 4019/4885AURKA 70/4885AURKB 123/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 GRM4 3206/4885AURKA 70/4885AURKB 111/4885

“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.