SCHEMBL5799355

SCHEMBL5799355

CC(C)CC(=O)c1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.75
AURKA O14965 1/20 0.69
LRRK2 Q5S007 3/20 0.60
MAP1LC3B Q9GZQ8 3/20 0.60
EGFR P00533 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
NTRK1 P04629 1/20 0.60
ARAF P10398 1/20 0.60
PIM1 P11309 1/20 0.60
BRAF P15056 1/20 0.60
CSNK2A1 P68400 1/20 0.60
PIM3 Q86V86 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.60

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
SCHEMBL5799357 1.00 RAF1 (0.75) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL1394998 0.90 RAF1 (0.61) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL1394997 0.90 RAF1 (0.61) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL1394872 0.88 RAF1 (0.80) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL5080455 0.88 RAF1 (0.80) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL5773006 0.87 RAF1 (0.60) RAF1AURKALRRK2EGFRPSEN1
SCHEMBL5773003 0.87 RAF1 (0.60) RAF1AURKALRRK2EGFRPSEN1
SCHEMBL5776361 0.86 RAF1 (1.00) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL5776365 0.86 RAF1 (1.00) RAF1AURKALRRK2MAP1LC3BEGFR
SCHEMBL5775161 0.85 RAF1 (0.75) RAF1AURKALRRK2MAP1LC3BEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor SMITHKLINE BEECHAM CORPORATION 2005-08-11 US disclosed
EP-1492568-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTRATION OF AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SmithKline Beecham Corporation (US) 2005-01-05 EP disclosed
WO-2003086467-A1 CANCER TREATMENT METHOD COMPRISING ADMINISTERING AN ERB-FAMILY INHIBITOR AND A RAF AND/OR RAS INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 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-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor BRAF, KRAS, NRAS RAF1 5/4885AURKA 1354/4885LRRK2 3707/4885

“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.