SCHEMBL5366802

SCHEMBL5366802

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.70
PLK4 O00444 2/20 0.49
ERBB2 P04626 3/20 0.48
GSK3B P49841 2/20 0.47
RET P07949 4/20 0.46
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
PLK1 P53350 1/20 0.44
DHFR P00374 1/20 0.43
EGFR P00533 2/20 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
SCHEMBL5368833 0.89 PLK4 (0.60) LRRK2PLK4ERBB2GSK3BRET
SCHEMBL7138948 0.87 ERBB2 (0.53) LRRK2PLK4ERBB2RETPSEN1
SCHEMBL5367600 0.86 LRRK2 (0.53) LRRK2PLK4PSEN1PSEN2APH1B
SCHEMBL5368689 0.86 LRRK2 (0.69) LRRK2PLK4ERBB2PSEN1PSEN2
SCHEMBL5364965 0.86 ERBB2 (0.63) LRRK2PLK4ERBB2GSK3BRET
SCHEMBL5357662 0.83 ERBB2 (0.61) LRRK2PLK4ERBB2GSK3BRET
SCHEMBL7133928 0.82 LRRK2 (0.53) LRRK2PLK4ERBB2PSEN1PSEN2
SCHEMBL7137564 0.82 PSEN1 (0.52) LRRK2RETPSEN1PSEN2APH1B
SCHEMBL6396798 0.82 LRRK2 (1.00) LRRK2ERBB2RETPSEN1PSEN2
SCHEMBL6396794 0.82 LRRK2 (1.00) LRRK2ERBB2RETPSEN1PSEN2

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 LRRK2 289/4885PLK4 42/4885ERBB2 19/4885

“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.