SCHEMBL5367950

SCHEMBL5367950

COc1c(Br)cc(C=C2C(=O)Nc3ccc(CCCl)cc32)cc1C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.74
EGFR P00533 4/20 0.69
PLK4 O00444 3/20 0.55
LRRK2 Q5S007 3/20 0.49
RAF1 P04049 5/20 0.45
AURKA O14965 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
IGF1R P08069 1/20 0.44
PLK1 P53350 2/20 0.43
MAP1LC3B Q9GZQ8 3/20 0.42
NTRK1 P04629 1/20 0.42
ARAF P10398 1/20 0.42
PIM1 P11309 1/20 0.42
BRAF P15056 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL5364965 0.93 ERBB2 (0.63) ERBB2EGFRPLK4LRRK2PSEN1
SCHEMBL5357662 0.90 ERBB2 (0.61) ERBB2EGFRPLK4LRRK2RAF1
SCHEMBL5377234 0.89 ERBB2 (0.58) ERBB2EGFRPLK4LRRK2PSEN1
SCHEMBL5370370 0.88 ERBB2 (0.58) ERBB2EGFRPLK4LRRK2RAF1
SCHEMBL5367313 0.87 LRRK2 (0.56) ERBB2EGFRPLK4LRRK2RAF1
SCHEMBL5361294 0.85 ERBB2 (0.54) ERBB2EGFRPLK4LRRK2PSEN1
SCHEMBL5364127 0.83 ERBB2 (0.73) ERBB2EGFRPLK4LRRK2PSEN1
SCHEMBL5365564 0.83 ERBB2 (0.78) ERBB2EGFRPLK4LRRK2RAF1
SCHEMBL5362863 0.83 ERBB2 (0.65) ERBB2EGFRPLK4LRRK2RAF1
SCHEMBL5358637 0.83 ERBB2 (0.51) ERBB2EGFRLRRK2RAF1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK ERBB2 19/4885EGFR 286/4885PLK4 42/4885

“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.