SCHEMBL5921480

SCHEMBL5921480

COc1cc(C(=O)OCc2ccccc2)ccc1Nc1ncc(N)c(NC2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.52
▸ AURKA O14965 2/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ LRRK2 Q5S007 8/20 0.49
▸ ALK Q9UM73 1/20 0.47
▸ AXL P30530 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ MERTK Q12866 1/20 0.45
▸ PLK1 P53350 2/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ BRDT Q58F21 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CLK1 P49759 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ PLK2 Q9NYY3 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
SCHEMBL5921620 0.87 PTK2 (0.50) PTK2AURKAAURKBLRRK2ALK
SCHEMBL1466613 0.81 LRRK2 (0.51) PTK2LRRK2
SCHEMBL12745482 0.81 LRRK2 (0.51) PTK2LRRK2
SCHEMBL12745485 0.79 LRRK2 (0.51) PTK2LRRK2ALK
SCHEMBL1467078 0.79 LRRK2 (0.51) PTK2LRRK2ALK
SCHEMBL5921220 0.77 CDK4 (0.53) PTK2PLK1BRD4BRDTL3MBTL1
SCHEMBL16995419 0.76 PTK2 (0.53) PTK2LRRK2
SCHEMBL380932 0.75 PTK2 (0.52) PTK2LRRK2
SCHEMBL12825980 0.75 LRRK2 (0.67) AURKAAURKBLRRK2AXLMERTK
SCHEMBL12065542 0.73 LRRK2 (0.77) LRRK2

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 212/4885AURKA 116/4885AURKB 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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