SCHEMBL5445320

SCHEMBL5445320

NS(=O)(=O)c1sccc1-c1ccc2[nH]c3nccc(Cl)c3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.48
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
UTS2R Q9UKP6 2/20 0.37
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
DYRK1B Q9Y463 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL676158 0.73 ALK (0.50) ALKAURKBAURKAUTS2RERBB2
SCHEMBL676339 0.72 ALK (0.49) ALKAURKBAURKAROCK2PIM1
SCHEMBL675938 0.72 ALK (0.48) ALKAURKBAURKACHEK1CDK1
SCHEMBL676245 0.72 ALK (0.62) ALKAURKBAURKAPTK6
SCHEMBL4961143 0.70 EGFR (0.55) ALKAURKBAURKAUTS2RCDK2
SCHEMBL675939 0.68 ALK (0.56) ALKAURKBAURKACDK1CDK2
SCHEMBL4962619 0.68 BRD4 (0.58) AURKBAURKA
SCHEMBL676261 0.68 ALK (0.52) ALKAURKBAURKACDK1GSK3B
SCHEMBL3668987 0.68 ALK (0.61) ALKCDK1GSK3AGSK3BCDK5
SCHEMBL675163 0.67 PTK6 (0.59) ALKAURKBAURKAUTS2RCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 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-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 ALK 3341/4885AURKB 105/4885AURKA 101/4885

“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.