SCHEMBL5367544

SCHEMBL5367544

COc1c([N+](=O)[O-])cc(C=C2C(=O)Nc3ccc(Br)c(C)c32)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.52
EGFR P00533 3/20 0.52
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLK4 O00444 1/20 0.41
LRRK2 Q5S007 2/20 0.38
IGF1R P08069 1/20 0.37
CCNE1 P24864 4/20 0.37
CDK2 P24941 4/20 0.37
GSK3B P49841 4/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5366011 0.89 ERBB2 (0.61) ERBB2EGFRTDP1PLK4LRRK2
SCHEMBL5362776 0.87 ERBB2 (0.67) ERBB2EGFRTSHRTDP1PLK4
SCHEMBL7137076 0.86 ERBB2 (0.46) ERBB2EGFRALDH1A1TSHRTDP1
SCHEMBL5357756 0.85 ERBB2 (0.56) ERBB2EGFRTSHRTDP1PLK4
SCHEMBL5376941 0.85 ERBB2 (0.61) ERBB2EGFRTDP1PLK4LRRK2
SCHEMBL5366009 0.79 ERBB2 (0.62) ERBB2EGFRALDH1A1TDP1PLK4
SCHEMBL5369680 0.79 ERBB2 (0.56) ERBB2EGFRTSHRTDP1PLK4
SCHEMBL5364049 0.79 ERBB2 (0.59) ERBB2EGFRTSHRTDP1PLK4
SCHEMBL5367617 0.78 ERBB2 (0.53) ERBB2EGFRTSHRTDP1PLK4
SCHEMBL5358747 0.78 PLK4 (0.60) ERBB2EGFRALDH1A1TDP1PLK4

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 286/4885ALDH1A1 2044/4885

“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.