SCHEMBL5113429

SCHEMBL5113429

Cc1ccc(S(=O)(=O)n2ccc3c(NCC(F)(F)F)nc(Nc4ccc(C(=O)N(C)C)cc4)nc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.46
LRRK2 Q5S007 3/20 0.43
AURKA O14965 3/20 0.41
JAK2 O60674 2/20 0.41
PAK4 O96013 2/20 0.41
NTRK1 P04629 2/20 0.41
IGF1R P08069 2/20 0.41
SYK P43405 2/20 0.41
MAPK8 P45983 2/20 0.41
JAK3 P52333 2/20 0.41
TYRO3 Q06418 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALK Q9UM73 2/20 0.41
SGK1 O00141 1/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKAB2 O43741 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL4777744 0.91 LRRK2 (0.44) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL4843165 0.90 LRRK2 (0.54) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL5114610 0.89 PTK2 (0.46) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL5122621 0.88 KMT2A (0.43) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL5124617 0.88 PTK2 (0.50) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL5121866 0.87 PTK2 (0.42) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL5114747 0.86 PTK2 (0.59) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL14547930 0.83 PTK2 (0.43) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL5121869 0.82 LRRK2 (0.36) PTK2LRRK2AURKAJAK2PAK4
SCHEMBL14547961 0.81 SYK (0.35) PTK2LRRK2AURKAJAK2PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
WO-2007042298-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 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 (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-20080004295-A1 NOVEL COMPOUNDS SYK, BTK, LCK PTK2 219/4885LRRK2 2483/4885AURKA 1260/4885

“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.