SCHEMBL17594656

SCHEMBL17594656

OC1(c2cc(Br)cnc2OC2CCOCC2)COC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.43
BRAF P15056 5/20 0.43
LRRK2 Q5S007 4/20 0.36
TBK1 Q9UHD2 1/20 0.36
CNR2 P34972 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
OPRK1 P41145 1/20 0.33
ATXN2 Q99700 3/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MAPK1 P28482 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL17594947 0.79 RAF1 (0.40) RAF1BRAF
SCHEMBL17594827 0.79 IRAK4 (0.38) LRRK2IRAK4OPRK1ATXN2ALOX5AP
SCHEMBL17594822 0.77 RAF1 (0.41) RAF1BRAFCNR2
SCHEMBL28329731 0.76 ALOX5AP (0.40) RAF1BRAFLRRK2IRAK4ATXN2
SCHEMBL20269371 0.76 IRAK4 (0.37) LRRK2IRAK4OPRK1ALOX5APFEN1
SCHEMBL16094976 0.76 ALOX5AP (0.37) LRRK2IRAK4OPRK1ALOX5APFEN1
SCHEMBL2838241 0.76 LRRK2 (0.42) RAF1BRAFLRRK2IRAK4OPRK1
SCHEMBL17594992 0.76 RAF1 (0.42) RAF1BRAF
SCHEMBL20264677 0.74 RAF1 (0.57) RAF1BRAF
SCHEMBL17594983 0.74 RAF1 (0.35) RAF1BRAFCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074828-B Compounds and compositions as RAF kinase inhibitors 诺华股份有限公司 2020-05-19 CN disclosed
EP-3191478-B1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2019-05-08 EP disclosed
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors NOVARTIS AG (CH) 2019-01-01 US disclosed
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors NOVARTIS AG (CH) 2019-01-01 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
US-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-06-21 US disclosed
EP-3191478-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS Novartis AG (CH) 2017-07-19 EP disclosed
WO-2016038582-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-17 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 (2 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-20180170917-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885LRRK2 613/4885
US-10167279-B2 Compounds and compositions as RAF kinase inhibitors BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885LRRK2 613/4885

“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.