SCHEMBL5772199

SCHEMBL5772199

O=C1Nc2ccc(-c3cccnc3)cc2C1=Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 1.00
PIK3C3 Q8NEB9 1/20 1.00
LRRK2 Q5S007 4/20 0.76
JAK2 O60674 1/20 0.62
JAK3 P52333 1/20 0.62
MAP1LC3B Q9GZQ8 3/20 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
EGFR P00533 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
SCHEMBL14040833 1.00 RAF1 (1.00) RAF1PIK3C3LRRK2JAK2JAK3
SCHEMBL12856418 0.87 RAF1 (0.77) RAF1PIK3C3LRRK2JAK2JAK3
SCHEMBL5776369 0.87 LRRK2 (1.00) RAF1PIK3C3LRRK2MAP1LC3BPSEN1
SCHEMBL5776367 0.87 LRRK2 (1.00) RAF1PIK3C3LRRK2MAP1LC3BPSEN1
SCHEMBL5774559 0.82 RAF1 (0.77) RAF1PIK3C3LRRK2JAK3MAP1LC3B
SCHEMBL5774564 0.82 RAF1 (0.77) RAF1PIK3C3LRRK2JAK3MAP1LC3B
SCHEMBL5775600 0.81 RAF1 (0.68) RAF1PIK3C3LRRK2JAK2JAK3
SCHEMBL5775715 0.78 LRRK2 (0.76) RAF1PIK3C3LRRK2MAP1LC3BPSEN1
SCHEMBL5772153 0.78 LRRK2 (0.72) RAF1PIK3C3LRRK2MAP1LC3BPSEN1
SCHEMBL5772149 0.78 LRRK2 (0.72) RAF1PIK3C3LRRK2MAP1LC3BPSEN1

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 11 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 claimed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US claimed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP claimed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 WO claimed
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
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 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 5/4885PIK3C3 1672/4885LRRK2 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.