SCHEMBL6397346

SCHEMBL6397346

COc1c(C)cc(C=C2C(=O)Nc3ccc(Cl)c(C)c32)cc1C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.65
ERBB2 P04626 3/20 0.43
PLK4 O00444 2/20 0.43
PLK1 P53350 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 2/20 0.40
RET P07949 3/20 0.40
EGFR P00533 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL6397340 1.00 LRRK2 (0.65) LRRK2ERBB2PLK4PLK1MEN1
SCHEMBL6388353 0.86 LRRK2 (0.49) LRRK2ERBB2PLK4PLK1MEN1
SCHEMBL6388348 0.86 LRRK2 (0.49) LRRK2ERBB2PLK4PLK1MEN1
SCHEMBL6396798 0.79 LRRK2 (1.00) LRRK2ERBB2RETEGFR
SCHEMBL6396794 0.79 LRRK2 (1.00) LRRK2ERBB2RETEGFR
SCHEMBL6389886 0.78 ERBB2 (0.46) LRRK2ERBB2PLK4PLK1MEN1
SCHEMBL6389883 0.78 ERBB2 (0.46) LRRK2ERBB2PLK4PLK1MEN1
SCHEMBL6390599 0.76 ERBB2 (0.47) LRRK2ERBB2PLK4PLK1RET
SCHEMBL6390596 0.76 ERBB2 (0.47) LRRK2ERBB2PLK4PLK1RET
SCHEMBL5376941 0.75 ERBB2 (0.61) LRRK2ERBB2PLK4PLK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US claimed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US claimed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
EP-1233943-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS Sugen, Inc. (US) 2002-08-28 EP disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 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-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 LRRK2 526/4885ERBB2 262/4885PLK4 228/4885

“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.