SCHEMBL5114610

SCHEMBL5114610

CNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3ccn(S(=O)(=O)c4ccc(C)cc4)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 17/20 0.46
LRRK2 Q5S007 3/20 0.46
PAK4 O96013 3/20 0.46
JAK2 O60674 3/20 0.46
NTRK1 P04629 3/20 0.46
KDR P35968 3/20 0.46
JAK3 P52333 3/20 0.46
NTRK3 Q16288 3/20 0.46
NTRK2 Q16620 3/20 0.46
SYK P43405 2/20 0.46
MAPK8 P45983 2/20 0.46
TYRO3 Q06418 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
AURKA O14965 2/20 0.46
ABL1 P00519 2/20 0.46
RET P07949 2/20 0.46
FLT1 P17948 2/20 0.46
WEE1 P30291 2/20 0.46
GSK3B P49841 2/20 0.46
CDK7 P50613 2/20 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
SCHEMBL5124617 0.92 PTK2 (0.50) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL4777744 0.92 LRRK2 (0.44) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL4843165 0.91 LRRK2 (0.54) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL5114747 0.90 PTK2 (0.59) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL5113429 0.89 PTK2 (0.46) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL5122621 0.89 KMT2A (0.43) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL5121866 0.88 PTK2 (0.42) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL14547930 0.84 PTK2 (0.43) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL5121869 0.83 LRRK2 (0.36) PTK2LRRK2PAK4JAK2NTRK1
SCHEMBL14547961 0.82 SYK (0.35) PTK2LRRK2PAK4JAK2NTRK1

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-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042298-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 2483/4885PAK4 840/4885

“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.