SCHEMBL4025643

SCHEMBL4025643

CC(=O)Nc1ccc(Nc2ncc(Br)c(Nc3ccccc3C(C)=O)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.68
PLK1 P53350 1/20 0.58
GSK3B P49841 2/20 0.57
CDC7 O00311 2/20 0.57
ALK Q9UM73 2/20 0.57
SYK P43405 2/20 0.57
CDK2 P24941 2/20 0.57
DAPK3 O43293 1/20 0.57
JAK2 O60674 1/20 0.57
ROCK2 O75116 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PAK4 O96013 1/20 0.57
PIM1 P11309 1/20 0.57
PRKACA P17612 1/20 0.57
CSNK1A1 P48729 1/20 0.57
CDK8 P49336 1/20 0.57
CLK2 P49760 1/20 0.57
GSK3A P49840 1/20 0.57
CDK7 P50613 1/20 0.57

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
Hydrochloric Acid SCHEMBL3812109 0.99 MAPK8 (0.67) MAPK8PLK1GSK3BCDC7ALK
SCHEMBL26506636 0.85 MAPK8 (0.56) MAPK8PLK1GSK3BCDC7ALK
Hydrochloric Acid SCHEMBL6175870 0.83 MAPK8 (0.61) MAPK8GSK3BCDC7ALKSYK
SCHEMBL4023776 0.80 ULK1 (0.67) MAPK8PLK1GSK3BCDC7ALK
Hydrochloric Acid SCHEMBL3807096 0.79 ULK1 (0.66) MAPK8PLK1GSK3BCDC7ALK
SCHEMBL4024903 0.79 IGF1R (0.60) MAPK8CDK2JAK2CDK9JAK3
Hydrochloric Acid SCHEMBL3807386 0.78 IGF1R (0.59) MAPK8CDK2JAK2CDK9JAK3
SCHEMBL3811264 0.77 MAPK8 (0.54) MAPK8GSK3BCDC7ALKSYK
SCHEMBL23764852 0.77 PTK2 (0.66) MAPK8GSK3BCDC7ALKSYK
SCHEMBL13873249 0.76 PLK1 (0.56) MAPK8PLK1ALKIGF1RMAPK9

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-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP claimed
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 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 (1 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-20070010668-A1 Pyrimidine compounds TYMS, TYMP, DPYD MAPK8 3281/4885PLK1 341/4885GSK3B 2540/4885

“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.