SCHEMBL5921620

SCHEMBL5921620

COc1cc(C(=O)OCc2ccccc2)ccc1Nc1ncc([N+](=O)[O-])c(NC2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.50
▸ PLK1 P53350 10/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ LRRK2 Q5S007 4/20 0.46
▸ ALK Q9UM73 2/20 0.45
▸ AXL P30530 3/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ DCLK1 O15075 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PRKD3 O94806 1/20 0.43

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
SCHEMBL5921480 0.87 PTK2 (0.52) PTK2PLK1AURKBAURKALRRK2
SCHEMBL1467078 0.77 LRRK2 (0.51) PTK2LRRK2ALK
SCHEMBL12745485 0.77 LRRK2 (0.51) PTK2LRRK2ALK
SCHEMBL12745482 0.77 LRRK2 (0.51) PTK2LRRK2
SCHEMBL1466613 0.77 LRRK2 (0.51) PTK2LRRK2
SCHEMBL29714355 0.75 PLK1 (0.68) PLK1ALKJAK2SRC
SCHEMBL5921220 0.75 CDK4 (0.53) PTK2PLK1MAPK1MAPK9PLK3
SCHEMBL1163979 0.74 PTK2 (0.54) PTK2
SCHEMBL27745500 0.74 ULK1 (0.57) PLK1AURKAAXLGSK3AGSK3B
SCHEMBL16995419 0.73 PTK2 (0.53) PTK2LRRK2

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-20060047118-A1 New pteridinones as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 — — 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-20060047118-A1 New pteridinones as PLK inhibitors PLK2, PLK4, PLK3 PTK2 212/4885PLK1 22/4885AURKB 117/4885

“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.

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