SCHEMBL1612486

SCHEMBL1612486

CCN(C(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)N(CCF)C4(C)C)n2)c(OC)c1)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.51
PTK2 Q05397 3/20 0.46
EGFR P00533 3/20 0.45
ALK Q9UM73 3/20 0.44
ERBB2 P04626 1/20 0.44
ERBB3 P21860 1/20 0.44
ERBB4 Q15303 1/20 0.44
TTK P33981 1/20 0.44

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
SCHEMBL1613297 0.86 PTK2 (0.51) LRRK2PTK2EGFRALKTTK
SCHEMBL1612485 0.86 LRRK2 (0.52) LRRK2PTK2EGFR
SCHEMBL1613415 0.79 PTK2 (0.61) LRRK2PTK2EGFRALKERBB2
SCHEMBL4392385 0.78 LRRK2 (0.54) LRRK2ALKTTK
SCHEMBL1612742 0.77 PTK2 (0.53) LRRK2PTK2EGFRALKERBB2
SCHEMBL1612345 0.74 PTK2 (0.47) LRRK2PTK2ALK
SCHEMBL1613293 0.73 PTK2 (0.55) LRRK2PTK2EGFRALK
SCHEMBL1613386 0.73 PTK2 (0.65) LRRK2PTK2EGFRALKERBB2
SCHEMBL2031313 0.73 PTK2 (0.48) LRRK2PTK2ALK
SCHEMBL13895958 0.73 PTK2 (0.62) LRRK2PTK2ALKTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 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 (3 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885EGFR 2739/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885EGFR 2739/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885EGFR 2739/4885

“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.